smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000097972616	347711605	/nfs/dbraw/zinc/71/16/05/347711605.db2.gz	VNOWTOMIZRAIJF-UHFFFAOYSA-N	-1	0	294.069	2.513	40	30		CFEBRM
CCCCCCCCCS(=O)(=O)CCC(=O)[O-]	ZINC000001628224	371689731	/nfs/dbraw/zinc/68/97/31/371689731.db2.gz	KLZBEVYEDWBVQR-UHFFFAOYSA-N	-1	0	264.387	2.627	40	30		CFEBRM
CCCCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000100071506	375613412	/nfs/dbraw/zinc/61/34/12/375613412.db2.gz	DXNWGSZOARYHSZ-UHFFFAOYSA-N	-1	0	273.373	2.598	40	30		CFEBRM
O=[N+]([O-])c1cc(/C=N\c2ccccc2O)ccc1[O-]	ZINC000408905074	380950392	/nfs/dbraw/zinc/95/03/92/380950392.db2.gz	SRZZEWICHWPLIE-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
C[C@@H](Oc1ccc(/C=N/c2cccnc2)cc1)C(=O)[O-]	ZINC000408846680	380950800	/nfs/dbraw/zinc/95/08/00/380950800.db2.gz	RKJOMBIIZLEAMO-LBFZPMSMSA-N	-1	0	270.288	2.684	40	30		CFEBRM
Cc1ccc(O)c(/C(CCCCC(=O)[O-])=N/O)c1	ZINC000005541886	170110940	/nfs/dbraw/zinc/11/09/40/170110940.db2.gz	PGRLWGRKOAGOHO-SDNWHVSQSA-N	-1	0	251.282	2.524	40	30		CFEBRM
COc1ccc(/N=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000006642461	170221366	/nfs/dbraw/zinc/22/13/66/170221366.db2.gz	GIXUZZOBGNAQDU-LICLKQGHSA-N	-1	0	285.299	2.909	40	30		CFEBRM
C=CCOc1c(Br)cc(C(=O)[O-])cc1OC	ZINC000007604075	170293374	/nfs/dbraw/zinc/29/33/74/170293374.db2.gz	MEKHVZKJCWNRNN-UHFFFAOYSA-N	-1	0	287.109	2.721	40	30		CFEBRM
CCc1cc(C)n(Cc2ccccc2C(=O)[O-])c1C#N	ZINC000078405298	177338496	/nfs/dbraw/zinc/33/84/96/177338496.db2.gz	FRPMGMRJODBBJB-UHFFFAOYSA-N	-1	0	268.316	2.977	40	30		CFEBRM
O=C(Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1	ZINC000001613245	371688880	/nfs/dbraw/zinc/68/88/80/371688880.db2.gz	QIDBVSWICYZCSP-UHFFFAOYSA-N	-1	0	275.329	2.575	40	30		CFEBRM
C=CCn1c(C)cs/c1=N/c1ccc(C(=O)[O-])cc1	ZINC000002676993	371746093	/nfs/dbraw/zinc/74/60/93/371746093.db2.gz	ILQDDPZTNZNHRH-CCEZHUSRSA-N	-1	0	274.345	2.975	40	30		CFEBRM
O=C([O-])COc1ccc(C=NNc2ccccc2)cc1	ZINC000013351321	372024666	/nfs/dbraw/zinc/02/46/66/372024666.db2.gz	PQSPHLCYPQXPCH-MHWRWJLKSA-N	-1	0	270.288	2.596	40	30		CFEBRM
CSC(C)(C)/C=N\OC([O-])=NC(=O)c1ccccc1	ZINC000016951308	372122965	/nfs/dbraw/zinc/12/29/65/372122965.db2.gz	GAMRDBNXXILIPJ-ZROIWOOFSA-N	-1	0	280.349	2.680	40	30		CFEBRM
CCCCCCCCCCS(=O)(=O)N[C@H](C)C(=O)[O-]	ZINC000100922006	375631074	/nfs/dbraw/zinc/63/10/74/375631074.db2.gz	XPNMMMISOBFPAY-GFCCVEGCSA-N	-1	0	293.429	2.520	40	30		CFEBRM
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\[O-])c2)cc1	ZINC000409073198	380952913	/nfs/dbraw/zinc/95/29/13/380952913.db2.gz	YCCGLPAPWKDGSS-GDNBJRDFSA-N	-1	0	291.328	2.571	40	30		CFEBRM
O=[N+]([O-])c1ccc2c(c1)/C(=N/[O-])c1cc(F)ccc1-2	ZINC000022241204	285142006	/nfs/dbraw/zinc/14/20/06/285142006.db2.gz	BRVGTFVQSFOJKB-FYWRMAATSA-N	-1	0	258.208	2.941	40	30		CFEBRM
O=[N+]([O-])c1cccc(/C=N\c2cccc(O)c2)c1[O-]	ZINC000083331463	393743302	/nfs/dbraw/zinc/74/33/02/393743302.db2.gz	PWOWNBMFWIKADH-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
CC(C)(C)OC(=O)Nc1ccc(C#N)c(C(=O)[O-])c1	ZINC000199793744	393747745	/nfs/dbraw/zinc/74/77/45/393747745.db2.gz	SYSLJRBWKUPLHJ-UHFFFAOYSA-N	-1	0	262.265	2.603	40	30		CFEBRM
c1ccc(N=NC(N=Nc2nnn[n-]2)c2ccccc2)cc1	ZINC000004728889	170007159	/nfs/dbraw/zinc/00/71/59/170007159.db2.gz	CMGSWPMEQNAYSM-HPHQGHHHSA-N	-1	0	292.306	2.757	40	30		CFEBRM
N#Cc1ccccc1COc1ccccc1C(=O)[O-]	ZINC000013013839	170528637	/nfs/dbraw/zinc/52/86/37/170528637.db2.gz	YXOXQEZOMQZNEK-UHFFFAOYSA-N	-1	0	253.257	2.835	40	30		CFEBRM
CC(C)c1[n-]c(=O)nc(-c2cccc(F)c2)c1C#N	ZINC000257198339	348305944	/nfs/dbraw/zinc/30/59/44/348305944.db2.gz	ZLRXNHASKCKKOQ-UHFFFAOYSA-N	-1	0	257.268	2.983	40	30		CFEBRM
COc1ccc(C([O-])=CC(=O)c2ccncc2)cc1	ZINC000103713018	540378504	/nfs/dbraw/zinc/37/85/04/540378504.db2.gz	FQLRIKVWMMUKNQ-GDNBJRDFSA-N	-1	0	255.273	2.872	40	30		CFEBRM
C#CCOc1ccc(/C=C/C(=O)[O-])cc1Br	ZINC000033737308	372500534	/nfs/dbraw/zinc/50/05/34/372500534.db2.gz	SJQIVQHTIOLPTH-GQCTYLIASA-N	-1	0	281.105	2.559	40	30		CFEBRM
O=C([O-])[C@H](S)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000071621515	374219274	/nfs/dbraw/zinc/21/92/74/374219274.db2.gz	BNGYPNUJCOTCGM-SSDOTTSWSA-N	-1	0	281.211	2.669	40	30		CFEBRM
CCCCCCCC(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000100110331	375613381	/nfs/dbraw/zinc/61/33/81/375613381.db2.gz	QZNATRWVQKQCCC-LLVKDONJSA-N	-1	0	275.414	2.669	40	30		CFEBRM
O=C(C=C(O)C(=O)Nc1ccc(O)cc1)c1ccccc1	ZINC000101542299	375639821	/nfs/dbraw/zinc/63/98/21/375639821.db2.gz	CFPKZDBCFRWIBF-GDNBJRDFSA-N	-1	0	283.283	2.656	40	30		CFEBRM
O=C([O-])C(O)=CC(=O)c1ccc(Cl)cc1Cl	ZINC000101989214	375662046	/nfs/dbraw/zinc/66/20/46/375662046.db2.gz	PWPMZYKGAZFKDR-WTKPLQERSA-N	-1	0	261.060	2.703	40	30		CFEBRM
O=[N+]([O-])c1cccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000103287549	375727343	/nfs/dbraw/zinc/72/73/43/375727343.db2.gz	NRFOSFBTPOSIJT-ZSOIEALJSA-N	-1	0	287.231	2.959	40	30		CFEBRM
O=[N+]([O-])c1cc(/C=N\c2cccc(O)c2)ccc1[O-]	ZINC000408965330	380951358	/nfs/dbraw/zinc/95/13/58/380951358.db2.gz	VVAWHUQDRBGTSS-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
C=C(C(=O)[O-])[C@H]1C[C@@H]2C(=C)CCC[C@]2(C)[C@@H](O)C1	ZINC000035457718	393520820	/nfs/dbraw/zinc/52/08/20/393520820.db2.gz	IBJRJSQUSVUUDO-XFMPKHEZSA-N	-1	0	250.338	2.761	40	30	biogenic,in-vitro	CFEBRM
Cc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCS2)o1	ZINC000062716083	393626690	/nfs/dbraw/zinc/62/66/90/393626690.db2.gz	YGGICUIHMMAVFK-SNAWJCMRSA-N	-1	0	296.369	2.947	40	30		CFEBRM
C/C(=N\c1ccoc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161237	277732212	/nfs/dbraw/zinc/73/22/12/277732212.db2.gz	OQBFPDFNDYRAOH-LICLKQGHSA-N	-1	0	282.299	2.978	40	30		CFEBRM
CC1=NC(C=Nc2nc3cc(C)c(C)cc3[nH]2)N=C1[O-]	ZINC000104239264	302539385	/nfs/dbraw/zinc/53/93/85/302539385.db2.gz	ACWODJICLQEZBE-UUASQNMZSA-N	-1	0	269.308	2.667	40	30		CFEBRM
O=C(COc1ccccc1/C=N\[O-])Nc1ccc(F)cc1	ZINC000109064663	347744762	/nfs/dbraw/zinc/74/47/62/347744762.db2.gz	IXJXYIGOPVGVMP-MFOYZWKCSA-N	-1	0	288.278	2.651	40	30		CFEBRM
CC(C)(C)Oc1ccc(C(=O)CC(=O)C(=O)[O-])cc1	ZINC000106679719	186131815	/nfs/dbraw/zinc/13/18/15/186131815.db2.gz	CRPYSOVPJODGPN-WQLSENKSSA-N	-1	0	264.277	2.573	40	30		CFEBRM
O=C1C=C(c2ccccc2)OC(=O)C1=C([O-])c1ccccc1	ZINC000000358885	371594801	/nfs/dbraw/zinc/59/48/01/371594801.db2.gz	PWKVTTYAAUTDHI-MRXNPFEDSA-N	-1	0	292.290	2.653	40	30		CFEBRM
N#Cc1c(NC(=O)CCC(=O)[O-])ccc2ccccc21	ZINC000001558569	371678726	/nfs/dbraw/zinc/67/87/26/371678726.db2.gz	QBAJQKUIUQGUSG-UHFFFAOYSA-N	-1	0	268.272	2.515	40	30	in-vitro	CFEBRM
CCCCCCCS(=O)(=O)CCCCC(=O)[O-]	ZINC000001600678	371686614	/nfs/dbraw/zinc/68/66/14/371686614.db2.gz	SNOZXICHQXCLJC-UHFFFAOYSA-N	-1	0	264.387	2.627	40	30		CFEBRM
Cn1c2ccccc2nc1/N=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000013226911	372019707	/nfs/dbraw/zinc/01/97/07/372019707.db2.gz	DVYUKEJIVMEQHL-SXGWCWSVSA-N	-1	0	296.286	2.938	40	30		CFEBRM
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1C	ZINC000408775459	380948968	/nfs/dbraw/zinc/94/89/68/380948968.db2.gz	HGRJLOMKSWMBIV-PXNMLYILSA-N	-1	0	272.304	2.796	40	30		CFEBRM
Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(C#N)c1C	ZINC000005144838	170070602	/nfs/dbraw/zinc/07/06/02/170070602.db2.gz	GFGLDVIUOPUGRP-UHFFFAOYSA-N	-1	0	291.288	2.990	40	30		CFEBRM
O=C([O-])c1ccc(NC=C2CCCCCC2=O)cc1O	ZINC000033736345	346312405	/nfs/dbraw/zinc/31/24/05/346312405.db2.gz	OMEKIVQNKQJYPJ-MDZDMXLPSA-N	-1	0	275.304	2.919	40	30		CFEBRM
O=C([O-])C(O)=CC(=O)c1cc(Cl)ccc1Cl	ZINC000106679620	186131911	/nfs/dbraw/zinc/13/19/11/186131911.db2.gz	LOUIDGHNABFALK-WTKPLQERSA-N	-1	0	261.060	2.703	40	30		CFEBRM
CCCOc1ccc(C(=O)CC(=O)C(=O)[O-])cc1Cl	ZINC000106679728	186131948	/nfs/dbraw/zinc/13/19/48/186131948.db2.gz	OUVJSGDWCKZHAV-XFFZJAGNSA-N	-1	0	284.695	2.838	40	30		CFEBRM
COc1ccc(C([O-])=CC(=O)c2ccccn2)cc1	ZINC000103713048	540378799	/nfs/dbraw/zinc/37/87/99/540378799.db2.gz	IZQRBODDNGHZPF-GDNBJRDFSA-N	-1	0	255.273	2.872	40	30		CFEBRM
O=C([O-])C(C(=O)/C=C/c1ccco1)=C1SCCS1	ZINC000000096801	371529975	/nfs/dbraw/zinc/52/99/75/371529975.db2.gz	HKHAYBJVVCMCFI-ONEGZZNKSA-N	-1	0	282.342	2.638	40	30		CFEBRM
O=C([O-])c1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1	ZINC000001707107	371700123	/nfs/dbraw/zinc/70/01/23/371700123.db2.gz	WYIZNABLHZTYJV-UHFFFAOYSA-N	-1	0	293.278	2.603	40	30		CFEBRM
O=C([O-])c1csc(NNC2=CC(=O)c3ccccc32)n1	ZINC000025173336	372292591	/nfs/dbraw/zinc/29/25/91/372292591.db2.gz	HYSLRTNPVZGCMT-OQLLNIDSSA-N	-1	0	287.300	2.570	40	30		CFEBRM
C=CCNC(=S)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000216928463	382785325	/nfs/dbraw/zinc/78/53/25/382785325.db2.gz	FCVDRGJOSVOGJL-UHFFFAOYSA-N	-1	0	270.741	2.511	40	30		CFEBRM
O=C([O-])c1ccccc1/C=N/NC(=S)Nc1ccccc1	ZINC000013337954	304267217	/nfs/dbraw/zinc/26/72/17/304267217.db2.gz	WIYRMWYUCHYYHR-MHWRWJLKSA-N	-1	0	299.355	2.705	40	30		CFEBRM
COc1cc(/C=N/[O-])c2c(c1Br)CCCO2	ZINC000016778438	393481163	/nfs/dbraw/zinc/48/11/63/393481163.db2.gz	FCWUJGHMYZTHAA-AWNIVKPZSA-N	-1	0	286.125	2.591	40	30		CFEBRM
C=C(C(=O)[O-])[C@@H]1C[C@H](O)[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000035457712	393520482	/nfs/dbraw/zinc/52/04/82/393520482.db2.gz	IBJRJSQUSVUUDO-ABHRYQDASA-N	-1	0	250.338	2.761	40	30	biogenic,in-vitro	CFEBRM
O=C([O-])c1ccccc1/C=N\N=C\c1ccccc1O	ZINC000005030490	170058145	/nfs/dbraw/zinc/05/81/45/170058145.db2.gz	MNGDXHQRYJWATO-ZAGBYUSBSA-N	-1	0	268.272	2.543	40	30		CFEBRM
COc1ccc(-c2ccc(/C=N/[O-])o2)c([N+](=O)[O-])c1	ZINC000020247731	171101207	/nfs/dbraw/zinc/10/12/07/171101207.db2.gz	ZMTRAVOJXJRRIX-NTUHNPAUSA-N	-1	0	262.221	2.672	40	30		CFEBRM
Cc1cc(/C(CNC(=O)OC(C)(C)C)=N/[O-])ccc1F	ZINC000034781583	260150024	/nfs/dbraw/zinc/15/00/24/260150024.db2.gz	PHEPOYMRYTVOJG-SFQUDFHCSA-N	-1	0	282.315	2.837	40	30		CFEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000008182888	346222580	/nfs/dbraw/zinc/22/25/80/346222580.db2.gz	YSCZLJQQQZUESI-NTUHNPAUSA-N	-1	0	291.336	2.602	40	30		CFEBRM
CC1(C(=O)[N-]S(=O)(=O)c2ccc(N)cc2)CCCCC1	ZINC000085565197	179094902	/nfs/dbraw/zinc/09/49/02/179094902.db2.gz	QSQZCWBPJSAUHW-UHFFFAOYSA-N	-1	0	296.392	2.884	40	30		CFEBRM
CC(C)(C)OC(=O)Nc1cccc(C(=O)[O-])c1C#N	ZINC000199766367	189684046	/nfs/dbraw/zinc/68/40/46/189684046.db2.gz	XDJKPWXFLLYLQM-UHFFFAOYSA-N	-1	0	262.265	2.603	40	30		CFEBRM
O=C([O-])[C@H](Cc1ccccc1)/N=C/c1ccc(O)cc1	ZINC000002032096	371713463	/nfs/dbraw/zinc/71/34/63/371713463.db2.gz	AVABFWMEVHDXDS-VUVCFOEZSA-N	-1	0	269.300	2.507	40	30		CFEBRM
Cc1cc(=O)oc2c(/C=N/c3ccccn3)c([O-])ccc12	ZINC000013234313	372020168	/nfs/dbraw/zinc/02/01/68/372020168.db2.gz	WYWAADDFFWMGTM-GIJQJNRQSA-N	-1	0	280.283	2.953	40	30		CFEBRM
CC(=O)C1=C([O-])C(=CC=Cc2ccccc2)OC1=O	ZINC000017105780	372127876	/nfs/dbraw/zinc/12/78/76/372127876.db2.gz	ABKIYVGPMWZYOU-CVNCVQKXSA-N	-1	0	256.257	2.542	40	30		CFEBRM
COc1ccc(O)c(/C=N\c2ccc(C(=O)[O-])cc2)c1	ZINC000019924461	372212438	/nfs/dbraw/zinc/21/24/38/372212438.db2.gz	QBUCOIMTCULYJT-SXGWCWSVSA-N	-1	0	271.272	2.850	40	30		CFEBRM
CCCCCCCCCCS(=O)(=O)NCCC(=O)[O-]	ZINC000100922016	375630966	/nfs/dbraw/zinc/63/09/66/375630966.db2.gz	LHRKMWZZCCYVKP-UHFFFAOYSA-N	-1	0	293.429	2.521	40	30		CFEBRM
CCCCCCCCCCS(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000100922005	375631050	/nfs/dbraw/zinc/63/10/50/375631050.db2.gz	XPNMMMISOBFPAY-LBPRGKRZSA-N	-1	0	293.429	2.520	40	30		CFEBRM
O=[N+]([O-])c1cc(/C=N\c2ccc3c(c2)OCO3)ccc1[O-]	ZINC000408962616	380950866	/nfs/dbraw/zinc/95/08/66/380950866.db2.gz	IJEWZDJYCKHQME-CHHVJCJISA-N	-1	0	286.243	2.780	40	30		CFEBRM
O=C([O-])c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1	ZINC000013267041	304231096	/nfs/dbraw/zinc/23/10/96/304231096.db2.gz	AVESASQNZXASSK-UHFFFAOYSA-N	-1	0	288.306	2.970	40	30		CFEBRM
COC(=O)c1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000006579517	170215346	/nfs/dbraw/zinc/21/53/46/170215346.db2.gz	HUDJKLVMXGJZEQ-LICLKQGHSA-N	-1	0	298.298	2.617	40	30		CFEBRM
CC(C)(C)c1cc(C#N)n(Cc2ccc(C(=O)[O-])o2)c1	ZINC000078404908	177338360	/nfs/dbraw/zinc/33/83/60/177338360.db2.gz	NGECYWLSQLDLFM-UHFFFAOYSA-N	-1	0	272.304	2.997	40	30		CFEBRM
CCc1cc(C)n(Cc2cccc(C(=O)[O-])c2)c1C#N	ZINC000078405291	177338381	/nfs/dbraw/zinc/33/83/81/177338381.db2.gz	WLLAKQCQFBSAML-UHFFFAOYSA-N	-1	0	268.316	2.977	40	30		CFEBRM
Cc1ccc(C(=O)Cc2cc(C#N)c(C#N)cc2[O-])cc1	ZINC000078547639	177353052	/nfs/dbraw/zinc/35/30/52/177353052.db2.gz	DUUDYYUGLCNUMG-UHFFFAOYSA-N	-1	0	276.295	2.869	40	30		CFEBRM
C=C(C(=O)[O-])[C@]1(O)CC[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000031165792	277762506	/nfs/dbraw/zinc/76/25/06/277762506.db2.gz	WQMBCGHXXVLQTE-CFVMTHIKSA-N	-1	0	250.338	2.905	40	30	biogenic,in-vitro	CFEBRM
C/C(=N\c1ncc([S-])[nH]1)c1cc2ccccc2oc1=O	ZINC000068601449	518474548	/nfs/dbraw/zinc/47/45/48/518474548.db2.gz	BTWCYQZQHPSXDC-LZYBPNLTSA-N	-1	0	285.328	2.946	40	30		CFEBRM
O=c1oc2ccccc2c([O-])c1C=Nc1ccccc1F	ZINC000101502114	534822496	/nfs/dbraw/zinc/82/24/96/534822496.db2.gz	ZGSPFUMIMNRCQE-PKNBQFBNSA-N	-1	0	283.258	2.923	40	30		CFEBRM
CN(C/C(=N\[O-])c1ccccc1)C(=O)c1ccccc1	ZINC000104226024	529819363	/nfs/dbraw/zinc/81/93/63/529819363.db2.gz	WDVLWDTZNXBCSZ-BMRADRMJSA-N	-1	0	268.316	2.637	40	30		CFEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OC)c(C)c1	ZINC000054279733	346563952	/nfs/dbraw/zinc/56/39/52/346563952.db2.gz	AZNVFSUSLYAWRI-RIYZIHGNSA-N	-1	0	276.365	2.702	40	30		CFEBRM
C=CCOc1c(Br)cc(OC)cc1C(=O)[O-]	ZINC000225280144	382813868	/nfs/dbraw/zinc/81/38/68/382813868.db2.gz	IJVPYHRYXQAVIC-UHFFFAOYSA-N	-1	0	287.109	2.721	40	30		CFEBRM
[O-]c1c(Br)cc(Br)cc1C=NO	ZINC000254737639	304833069	/nfs/dbraw/zinc/83/30/69/304833069.db2.gz	LRNICNSWROUZCF-UHFFFAOYSA-N	-1	0	294.930	2.725	40	30		CFEBRM
N/N=C(\c1ccc(Cl)cc1)c1ccccc1C(=O)[O-]	ZINC000005583189	170116282	/nfs/dbraw/zinc/11/62/82/170116282.db2.gz	MRRTWUNJWQQZSK-GHRIWEEISA-N	-1	0	274.707	2.749	40	30		CFEBRM
CC(C)c1cc(C#N)n(Cc2ccc(C(=O)[O-])o2)c1	ZINC000078404779	177338446	/nfs/dbraw/zinc/33/84/46/177338446.db2.gz	QMONYPHJIVETCQ-UHFFFAOYSA-N	-1	0	258.277	2.823	40	30		CFEBRM
CCCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000097941782	528129733	/nfs/dbraw/zinc/12/97/33/528129733.db2.gz	RKZPKXHTMXUNHG-BARDWOONSA-N	-1	0	293.407	2.986	40	30		CFEBRM
O=C([O-])[C@@H](Cc1ccccc1)/N=C/c1ccc(O)cc1	ZINC000001767532	371706631	/nfs/dbraw/zinc/70/66/31/371706631.db2.gz	AVABFWMEVHDXDS-QAEAHILHSA-N	-1	0	269.300	2.507	40	30		CFEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)cc1	ZINC000005638734	371885207	/nfs/dbraw/zinc/88/52/07/371885207.db2.gz	MWNAGTIAJQLCHQ-MHWRWJLKSA-N	-1	0	270.288	2.927	40	30		CFEBRM
CCCc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1CCC#N	ZINC000014607970	372070219	/nfs/dbraw/zinc/07/02/19/372070219.db2.gz	YAZFXCIDHRAMHW-UHFFFAOYSA-N	-1	0	295.346	2.863	40	30		CFEBRM
O=C([O-])c1ccc(/C=N/N=C/c2ccccc2O)cc1	ZINC000016919775	372121106	/nfs/dbraw/zinc/12/11/06/372121106.db2.gz	ZAILMIHKPZCHRQ-CZCYGEDCSA-N	-1	0	268.272	2.543	40	30		CFEBRM
CC=CC=CC(=O)CC[C@@]1(C)OC(=O)C(C)=C1[O-]	ZINC000017139932	372129224	/nfs/dbraw/zinc/12/92/24/372129224.db2.gz	GQFGVUPBODCMSV-YOUBIVCXSA-N	-1	0	250.294	2.616	40	30		CFEBRM
O=C1C=C(c2ccccc2)OC(=O)C1=C([O-])c1ccccc1	ZINC000100365026	375619238	/nfs/dbraw/zinc/61/92/38/375619238.db2.gz	PWKVTTYAAUTDHI-INIZCTEOSA-N	-1	0	292.290	2.653	40	30		CFEBRM
O/N=C1/C(c2ccccc2)=NN=C(c2ccccc2)/C1=N/O	ZINC000104374270	375781199	/nfs/dbraw/zinc/78/11/99/375781199.db2.gz	QTZVSLWZEXXBAN-IKBKFCNISA-N	-1	0	292.298	2.554	40	30		CFEBRM
CCOc1cc(Cl)c(Cl)c(/C=N/[O-])c1O	ZINC000216783895	382784862	/nfs/dbraw/zinc/78/48/62/382784862.db2.gz	HMXZEPJWXKYXLB-UUILKARUSA-N	-1	0	250.081	2.906	40	30		CFEBRM
CCOC(=O)c1c(C)oc2c1C(=O)/C(=N\[O-])c1ccccc1-2	ZINC000100501073	393845151	/nfs/dbraw/zinc/84/51/51/393845151.db2.gz	WSJJWPDMAHUZIS-LGMDPLHJSA-N	-1	0	299.282	2.806	40	30		CFEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1O	ZINC000005638739	170122902	/nfs/dbraw/zinc/12/29/02/170122902.db2.gz	ACQPGCJNTLWNJK-MHWRWJLKSA-N	-1	0	270.288	2.927	40	30		CFEBRM
CCCCC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000005781941	170140049	/nfs/dbraw/zinc/14/00/49/170140049.db2.gz	LGNIJSJHMTUWHN-KAMYIIQDSA-N	-1	0	265.269	2.638	40	30		CFEBRM
O=C(Nc1ccccc1)[C@@]12C[C@@H]1C(=N[O-])c1ccccc1O2	ZINC000299888327	263255118	/nfs/dbraw/zinc/25/51/18/263255118.db2.gz	FPXPIEZPAXSELW-CXAGYDPISA-N	-1	0	294.310	2.655	40	30		CFEBRM
CC(C)[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000104095171	280134276	/nfs/dbraw/zinc/13/42/76/280134276.db2.gz	XGKRTQSMOMJPIE-RZBIUYHXSA-N	-1	0	255.701	2.574	40	30		CFEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccccc2[N+](=O)[O-])c1[O-]	ZINC000025667710	304804891	/nfs/dbraw/zinc/80/48/91/304804891.db2.gz	MERBIIIKTPYQQH-RIYZIHGNSA-N	-1	0	287.231	2.959	40	30		CFEBRM
Cc1nc(NC[C@H](CC(=O)[O-])C2CC2)c(Cl)cc1C#N	ZINC000685938912	539988657	/nfs/dbraw/zinc/98/86/57/539988657.db2.gz	AYIRSTAMTYBRGK-NSHDSACASA-N	-1	0	293.754	2.828	40	30		CFEBRM
CC/N=C(\C)c1c([O-])c2ccccc2n(CC)c1=O	ZINC000101156812	375633625	/nfs/dbraw/zinc/63/36/25/375633625.db2.gz	YYVXCEAOVFQKCG-MHWRWJLKSA-N	-1	0	258.321	2.556	40	30		CFEBRM
CCCCCCCC(=O)C=CSc1n[nH]c(=O)[n-]c1=O	ZINC000104206068	375773758	/nfs/dbraw/zinc/77/37/58/375773758.db2.gz	HSLFTYLDRKRZSK-HJWRWDBZSA-N	-1	0	297.380	2.818	40	30		CFEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(O)cc2)ccc1[O-]	ZINC000408965746	380951644	/nfs/dbraw/zinc/95/16/44/380951644.db2.gz	XMYOLWVJZBCUKK-RIYZIHGNSA-N	-1	0	258.233	2.757	40	30		CFEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C\c1ccccc1)C2=O	ZINC000002339894	304252002	/nfs/dbraw/zinc/25/20/02/304252002.db2.gz	KAAZONMQZCIBTC-ZSOIEALJSA-N	-1	0	278.263	2.847	40	30		CFEBRM
C[C@H](/C(=N/[O-])c1ccc(Cl)cc1Cl)S(C)(=O)=O	ZINC000096524500	393837986	/nfs/dbraw/zinc/83/79/86/393837986.db2.gz	HFNPJWRFHXECQW-GRFIGQMDSA-N	-1	0	296.175	2.605	40	30		CFEBRM
COc1ccc(C(=O)/C=C/c2ccccn2)c([O-])c1	ZINC000004706979	170002283	/nfs/dbraw/zinc/00/22/83/170002283.db2.gz	IJWKFHRJTHANPS-VMPITWQZSA-N	-1	0	255.273	2.692	40	30		CFEBRM
CCOC(=O)/C(CC(C(F)(F)F)C(F)(F)F)=N\[O-]	ZINC000261508614	348312159	/nfs/dbraw/zinc/31/21/59/348312159.db2.gz	VGQBAQCNUSUCFS-TVPGTPATSA-N	-1	0	281.152	2.511	40	30		CFEBRM
C=CCc1ccccc1OCc1ncc(C(=O)[O-])c(C)n1	ZINC000217397868	189709651	/nfs/dbraw/zinc/70/96/51/189709651.db2.gz	XXQQOJKQSCXKQJ-UHFFFAOYSA-N	-1	0	284.315	2.791	40	30		CFEBRM
N#Cc1ccc(COc2ccccc2C(=O)[O-])cc1	ZINC000013080131	372012931	/nfs/dbraw/zinc/01/29/31/372012931.db2.gz	ZEGMNXYYQCCMMX-UHFFFAOYSA-N	-1	0	253.257	2.835	40	30		CFEBRM
C[C@H](/C(=N/[O-])c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000017141890	372129757	/nfs/dbraw/zinc/12/97/57/372129757.db2.gz	OQRWHCYNZKHNHQ-FOTIKMNESA-N	-1	0	294.310	2.550	40	30		CFEBRM
C=CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000071275622	374215113	/nfs/dbraw/zinc/21/51/13/374215113.db2.gz	KTPJEGMXKVFNCK-ZDUSSCGKSA-N	-1	0	277.320	2.722	40	30		CFEBRM
N=c1[n-]nc(-c2cccc(/N=C/c3ccco3)c2)s1	ZINC000408718469	380947840	/nfs/dbraw/zinc/94/78/40/380947840.db2.gz	ZIHBWMPTRCPSQA-OVCLIPMQSA-N	-1	0	270.317	2.961	40	30		CFEBRM
N#Cc1cc2c(nc1SCC(=O)[O-])CCCCCC2	ZINC000001295853	169694551	/nfs/dbraw/zinc/69/45/51/169694551.db2.gz	OACLTDATRCMMKT-UHFFFAOYSA-N	-1	0	276.361	2.789	40	30		CFEBRM
C=C(C)COc1ccc(-c2noc(CCC(=O)[O-])n2)cc1	ZINC000072228380	393650182	/nfs/dbraw/zinc/65/01/82/393650182.db2.gz	BDYWKFVOXSWGQF-UHFFFAOYSA-N	-1	0	288.303	2.709	40	30		CFEBRM
O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])c1ccccc1	ZINC000006382997	170196669	/nfs/dbraw/zinc/19/66/69/170196669.db2.gz	SGZFWUNIXGFYHK-CMDGGOBGSA-N	-1	0	292.294	2.525	40	30		CFEBRM
O=C([O-])c1cccc(NN=Cc2ccccc2O)c1	ZINC000006673759	170225021	/nfs/dbraw/zinc/22/50/21/170225021.db2.gz	NKWJGSDGBHNSSS-OQLLNIDSSA-N	-1	0	256.261	2.536	40	30		CFEBRM
Cc1cc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)no1	ZINC000006826198	170247034	/nfs/dbraw/zinc/24/70/34/170247034.db2.gz	IXUNGWYMJJBWFV-CXUHLZMHSA-N	-1	0	282.303	2.933	40	30		CFEBRM
C/C(=N\c1cccnc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362680	277732153	/nfs/dbraw/zinc/73/21/53/277732153.db2.gz	YCJJCZYIWKUQFI-YBFXNURJSA-N	-1	0	293.326	2.780	40	30		CFEBRM
C=C(C(=O)[O-])[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1	ZINC000031157123	277762455	/nfs/dbraw/zinc/76/24/55/277762455.db2.gz	GQDFYCPPHMEHJL-COMQUAJESA-N	-1	0	250.338	2.761	40	30	biogenic,in-vitro	CFEBRM
[O-]N=Cc1cc(Br)c(Br)o1	ZINC000252440487	334380008	/nfs/dbraw/zinc/38/00/08/334380008.db2.gz	MRHRSWWMJUYJRQ-UHFFFAOYSA-N	-1	0	268.892	2.613	40	30		CFEBRM
CC(C)(C)OC(=O)NC/C(=N\[O-])c1ccc(F)cc1	ZINC000012357087	371955027	/nfs/dbraw/zinc/95/50/27/371955027.db2.gz	OZCAZRSTWYUKCY-LFIBNONCSA-N	-1	0	268.288	2.529	40	30		CFEBRM
COc1ccc(C(=O)/C=C\c2ccncc2)c([O-])c1	ZINC000017313944	372132915	/nfs/dbraw/zinc/13/29/15/372132915.db2.gz	NDCUPZSBKRPIAM-DJWKRKHSSA-N	-1	0	255.273	2.692	40	30		CFEBRM
O=C([O-])c1cc(C(=O)/C=C/c2ccco2)ccc1O	ZINC000017109084	372127422	/nfs/dbraw/zinc/12/74/22/372127422.db2.gz	MRLBBQHEODASGQ-GQCTYLIASA-N	-1	0	258.229	2.580	40	30		CFEBRM
C=CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000071275624	374214589	/nfs/dbraw/zinc/21/45/89/374214589.db2.gz	KTPJEGMXKVFNCK-CYBMUJFWSA-N	-1	0	277.320	2.722	40	30		CFEBRM
O=[N+]([O-])c1ccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000097359910	375552291	/nfs/dbraw/zinc/55/22/91/375552291.db2.gz	FXMDETNQUFEBSY-ZSOIEALJSA-N	-1	0	287.231	2.959	40	30		CFEBRM
C=CCNC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000216927613	382785153	/nfs/dbraw/zinc/78/51/53/382785153.db2.gz	YQSWFIPDRDZNIK-UHFFFAOYSA-N	-1	0	270.741	2.511	40	30		CFEBRM
C#CCOc1c(OCC)cc(Br)cc1C(=O)[O-]	ZINC000225282058	382813741	/nfs/dbraw/zinc/81/37/41/382813741.db2.gz	NNCSURLZNVCFHX-UHFFFAOYSA-N	-1	0	299.120	2.558	40	30		CFEBRM
Cc1ccc(/C(CCCCC(=O)[O-])=N/O)c(O)c1	ZINC000006189873	170181966	/nfs/dbraw/zinc/18/19/66/170181966.db2.gz	DIRWLUKUWUENFE-SDNWHVSQSA-N	-1	0	251.282	2.524	40	30		CFEBRM
C=CCOc1ccc(Br)cc1C(=O)[O-]	ZINC000007604072	170293290	/nfs/dbraw/zinc/29/32/90/170293290.db2.gz	BUHHBVKYPJOWMU-UHFFFAOYSA-N	-1	0	257.083	2.712	40	30		CFEBRM
CCc1cc(C)n(Cc2ccccc2C#N)c1C(=O)[O-]	ZINC000078405426	177338507	/nfs/dbraw/zinc/33/85/07/177338507.db2.gz	AAPKEFXKGSMXFS-UHFFFAOYSA-N	-1	0	268.316	2.977	40	30		CFEBRM
O=C(Nc1ccccc1)[C@]12C[C@H]1C(=N[O-])c1ccccc1O2	ZINC000299888329	263255060	/nfs/dbraw/zinc/25/50/60/263255060.db2.gz	FPXPIEZPAXSELW-GUYCJALGSA-N	-1	0	294.310	2.655	40	30		CFEBRM
O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc2/C1=N\[O-]	ZINC000102890600	275031302	/nfs/dbraw/zinc/03/13/02/275031302.db2.gz	TUEQZRCRIQYWSK-FYWRMAATSA-N	-1	0	268.228	2.636	40	30		CFEBRM
N#C[C@@H](Cc1cccc(-c2ccccn2)c1)C(=O)[O-]	ZINC000585656330	540178738	/nfs/dbraw/zinc/17/87/38/540178738.db2.gz	UDHZHXZNFCMQAI-CYBMUJFWSA-N	-1	0	252.273	2.515	40	30		CFEBRM
N#Cc1ccc(-c2ccccc2F)nc1SCC(=O)[O-]	ZINC000012375678	371954843	/nfs/dbraw/zinc/95/48/43/371954843.db2.gz	OFMWILJIAPLFCF-UHFFFAOYSA-N	-1	0	288.303	2.936	40	30		CFEBRM
COc1ccc(C(=O)/C=C\c2cccnc2)c([O-])c1	ZINC000017313943	372132639	/nfs/dbraw/zinc/13/26/39/372132639.db2.gz	BHHYCLIWDCRSPU-DAXSKMNVSA-N	-1	0	255.273	2.692	40	30		CFEBRM
CCCC/N=C/c1c([O-])c2ccccc2n(CC)c1=O	ZINC000100177134	375614350	/nfs/dbraw/zinc/61/43/50/375614350.db2.gz	RIICENBWXTVOOH-GZTJUZNOSA-N	-1	0	272.348	2.946	40	30		CFEBRM
CCOc1cc(/C=N\O)ccc1OCc1cccnc1	ZINC000138266519	378232095	/nfs/dbraw/zinc/23/20/95/378232095.db2.gz	GZUVAQDZZGEBPP-YVLHZVERSA-N	-1	0	272.304	2.867	40	30		CFEBRM
CC(C)c1ccoc1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000330540080	378580787	/nfs/dbraw/zinc/58/07/87/378580787.db2.gz	RJHGODOOURNVJP-UHFFFAOYSA-N	-1	0	286.335	2.726	40	30		CFEBRM
C[C@H](Oc1ccc(/C=N/c2cccnc2)cc1)C(=O)[O-]	ZINC000408846676	380950112	/nfs/dbraw/zinc/95/01/12/380950112.db2.gz	RKJOMBIIZLEAMO-DTQASYIRSA-N	-1	0	270.288	2.684	40	30		CFEBRM
O=[N+]([O-])c1ccc2c(c1)/C(=N\[O-])c1cc(F)ccc1-2	ZINC000102852441	285141806	/nfs/dbraw/zinc/14/18/06/285141806.db2.gz	BRVGTFVQSFOJKB-SQFISAMPSA-N	-1	0	258.208	2.941	40	30		CFEBRM
C=C(C(=O)[O-])[C@H]1CC2=C(C)CCC[C@]2(C)C[C@@H]1O	ZINC000014451725	393479936	/nfs/dbraw/zinc/47/99/36/393479936.db2.gz	MMLPRYWSGSVRRN-OSAQELSMSA-N	-1	0	250.338	2.905	40	30	biogenic,in-vitro	CFEBRM
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000006581667	170215551	/nfs/dbraw/zinc/21/55/51/170215551.db2.gz	DYBLZOAAZNGSKM-MHWRWJLKSA-N	-1	0	270.288	2.839	40	30		CFEBRM
N#Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000409066216	303187466	/nfs/dbraw/zinc/18/74/66/303187466.db2.gz	MIJCEURTELBPNU-CXUHLZMHSA-N	-1	0	267.244	2.923	40	30		CFEBRM
N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)[O-])CC1	ZINC000072221259	303213446	/nfs/dbraw/zinc/21/34/46/303213446.db2.gz	PRJHTROEKAALHM-UHFFFAOYSA-N	-1	0	299.305	2.547	40	30		CFEBRM
O=[N+]([O-])c1cccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000095938570	185035404	/nfs/dbraw/zinc/03/54/04/185035404.db2.gz	FGXDZXGCBPLPOT-ZSOIEALJSA-N	-1	0	287.231	2.959	40	30		CFEBRM
COc1ccc(/C=N/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000101538754	185744131	/nfs/dbraw/zinc/74/41/31/185744131.db2.gz	AAOYJJCVDINDSO-LICLKQGHSA-N	-1	0	285.299	2.909	40	30		CFEBRM
CC(C)Oc1ccc(C(=O)CC(=O)C(=O)[O-])cc1Cl	ZINC000106679729	186131625	/nfs/dbraw/zinc/13/16/25/186131625.db2.gz	CZJNNAZXXIUDNO-WDZFZDKYSA-N	-1	0	284.695	2.836	40	30		CFEBRM
CCOC(=O)/C(=N/[O-])C1=NC(C)(C)Cc2ccc(C)cc21	ZINC000001438322	371675670	/nfs/dbraw/zinc/67/56/70/371675670.db2.gz	AWFBLPWKUAFXFL-NBVRZTHBSA-N	-1	0	288.347	2.512	40	30		CFEBRM
COc1cc([O-])c(C(=O)/C=C/c2ccco2)c(OC)c1	ZINC000004350031	371851438	/nfs/dbraw/zinc/85/14/38/371851438.db2.gz	RCUGXFWNGDQEQD-AATRIKPKSA-N	-1	0	274.272	2.899	40	30	biogenic,in-vitro	CFEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccc3c(c2)OCO3)c1	ZINC000013126357	372017304	/nfs/dbraw/zinc/01/73/04/372017304.db2.gz	MSRJULONYPRVFP-CHHVJCJISA-N	-1	0	286.243	2.780	40	30		CFEBRM
O=C(/C=C\c1ccccc1O)c1ccc(O)cc1[O-]	ZINC000017197643	372128847	/nfs/dbraw/zinc/12/88/47/372128847.db2.gz	MACMAADVRVVHBD-YVMONPNESA-N	-1	0	256.257	2.700	40	30	in-vitro	CFEBRM
CC=CC=CC(=O)CC[C@@]1(C)OC(=O)C(C)=C1[O-]	ZINC000017139936	372129680	/nfs/dbraw/zinc/12/96/80/372129680.db2.gz	GQFGVUPBODCMSV-WJCPARLMSA-N	-1	0	250.294	2.616	40	30		CFEBRM
CO/N=C(/C(=O)[O-])c1csc(/N=C/c2ccco2)c1	ZINC000000097142	169534758	/nfs/dbraw/zinc/53/47/58/169534758.db2.gz	HMSAUOOCXSOYIU-IRBLODBNSA-N	-1	0	278.289	2.527	40	30		CFEBRM
C=C[C@@H]1CCCCN1C(=O)CC(CC)(CC)C(=O)[O-]	ZINC000634945356	383416376	/nfs/dbraw/zinc/41/63/76/383416376.db2.gz	PZBCUCRDRQZEDI-GFCCVEGCSA-N	-1	0	267.369	2.835	40	30		CFEBRM
COc1cc2c(cc1/C=N\c1cccc(C(=O)[O-])c1)OCO2	ZINC000409097607	256803423	/nfs/dbraw/zinc/80/34/23/256803423.db2.gz	MQZDZVBFWWHSIR-IUXPMGMMSA-N	-1	0	299.282	2.873	40	30		CFEBRM
C[C@@H](/C(=N/[O-])c1ccc(Cl)cc1Cl)S(C)(=O)=O	ZINC000096524499	393837909	/nfs/dbraw/zinc/83/79/09/393837909.db2.gz	HFNPJWRFHXECQW-GYBUZWCQSA-N	-1	0	296.175	2.605	40	30		CFEBRM
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1O	ZINC000007890702	170306559	/nfs/dbraw/zinc/30/65/59/170306559.db2.gz	IEKWSKAJLMLCFN-CXUHLZMHSA-N	-1	0	286.287	2.545	40	30		CFEBRM
O=C([O-])c1ccccc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000016449060	170698173	/nfs/dbraw/zinc/69/81/73/170698173.db2.gz	SNZXXONMLGADKF-OQLLNIDSSA-N	-1	0	285.259	2.739	40	30		CFEBRM
O=C([O-])COc1ccc(/C=N/c2cccnc2)cc1Cl	ZINC000059249714	262387351	/nfs/dbraw/zinc/38/73/51/262387351.db2.gz	TTYADNGOUCSSGH-REZTVBANSA-N	-1	0	290.706	2.949	40	30		CFEBRM
COCc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)o1	ZINC000059522903	262390522	/nfs/dbraw/zinc/39/05/22/262390522.db2.gz	ZUSPHXHLEGAUOR-OVCLIPMQSA-N	-1	0	259.261	2.875	40	30		CFEBRM
CCSC(=S)S[C@](C)(C#N)CCC(=O)[O-]	ZINC000115962581	327207863	/nfs/dbraw/zinc/20/78/63/327207863.db2.gz	KEWSCDNULKOKTG-VIFPVBQESA-N	-1	0	263.409	2.905	40	30		CFEBRM
N#Cc1nc(C2=C(Cl)c3ccccc3OC2)[n-]c1C#N	ZINC000005647200	283248641	/nfs/dbraw/zinc/24/86/41/283248641.db2.gz	CWVGNKRXVPDBQT-UHFFFAOYSA-N	-1	0	282.690	2.653	40	30		CFEBRM
N#Cc1ccccc1NC(=O)c1ccccc1C(=O)[O-]	ZINC000000365004	371595888	/nfs/dbraw/zinc/59/58/88/371595888.db2.gz	NNNSYANEELHVMK-UHFFFAOYSA-N	-1	0	266.256	2.509	40	30		CFEBRM
COC([O-])=NC(=O)c1ccccc1N=C1CCCC1	ZINC000013999049	372056314	/nfs/dbraw/zinc/05/63/14/372056314.db2.gz	BQMWFZMODAGDBZ-UHFFFAOYSA-N	-1	0	260.293	2.829	40	30		CFEBRM
O=C([O-])c1ccc(/C=N\N=C/c2ccccc2O)cc1	ZINC000016919766	372121185	/nfs/dbraw/zinc/12/11/85/372121185.db2.gz	ZAILMIHKPZCHRQ-CQRYCMKKSA-N	-1	0	268.272	2.543	40	30		CFEBRM
Cn1c2ccccc2nc1/N=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000101132335	375633886	/nfs/dbraw/zinc/63/38/86/375633886.db2.gz	DVYUKEJIVMEQHL-CXUHLZMHSA-N	-1	0	296.286	2.938	40	30		CFEBRM
CCc1cc(C(=O)OC/C(C)=N\O)c2ccccc2n1	ZINC000104371965	375780763	/nfs/dbraw/zinc/78/07/63/375780763.db2.gz	MNZABTHQPFJURI-YVLHZVERSA-N	-1	0	272.304	2.804	40	30		CFEBRM
O=[N+]([O-])c1cccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408965195	380951718	/nfs/dbraw/zinc/95/17/18/380951718.db2.gz	ULZQTPOUFSKNBB-ZSOIEALJSA-N	-1	0	287.231	2.959	40	30		CFEBRM
[O-]/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1	ZINC000409064902	380952661	/nfs/dbraw/zinc/95/26/61/380952661.db2.gz	QTRWYDWBNZEHQM-WCSRMQSCSA-N	-1	0	267.647	2.870	40	30		CFEBRM
C=CCOc1c(Br)cc(F)cc1C(=O)[O-]	ZINC000225277609	382813844	/nfs/dbraw/zinc/81/38/44/382813844.db2.gz	LOTUYMAPWRBWPE-UHFFFAOYSA-N	-1	0	275.073	2.851	40	30		CFEBRM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)s2)cc1	ZINC000225386744	382814916	/nfs/dbraw/zinc/81/49/16/382814916.db2.gz	FIZQNLFPBLPJQS-UHFFFAOYSA-N	-1	0	282.321	2.560	40	30		CFEBRM
O=C([O-])c1ccc(COc2ccccc2C=NO)cc1	ZINC000254709000	383470523	/nfs/dbraw/zinc/47/05/23/383470523.db2.gz	YKKLUCYHSGZYCQ-UHFFFAOYSA-N	-1	0	271.272	2.772	40	30		CFEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2cccc(O)c2)c1	ZINC000083331469	393742923	/nfs/dbraw/zinc/74/29/23/393742923.db2.gz	UXUOJZYQLWPXPR-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
COc1cc2c(cc1/C=N\c1ccc(C(=O)[O-])cc1)OCO2	ZINC000409102473	261136570	/nfs/dbraw/zinc/13/65/70/261136570.db2.gz	AEFHDYZDQDCETM-IUXPMGMMSA-N	-1	0	299.282	2.873	40	30		CFEBRM
C/C(=N\[O-])c1c2sc(=O)oc2c2ccccc2c1O	ZINC000016137229	277731919	/nfs/dbraw/zinc/73/19/19/277731919.db2.gz	FCEPLMQWSDDYRG-MKMNVTDBSA-N	-1	0	275.285	2.912	40	30		CFEBRM
CCCCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000097941783	528129085	/nfs/dbraw/zinc/12/90/85/528129085.db2.gz	RKZPKXHTMXUNHG-QPSCCSFWSA-N	-1	0	293.407	2.986	40	30		CFEBRM
O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/O)c1[O-]	ZINC000030714776	372398021	/nfs/dbraw/zinc/39/80/21/372398021.db2.gz	JPHIFASRHWHUGW-OQLLNIDSSA-N	-1	0	272.260	2.699	40	30		CFEBRM
CC(C)[C@@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000104095175	375767338	/nfs/dbraw/zinc/76/73/38/375767338.db2.gz	XGKRTQSMOMJPIE-MQOXYSQQSA-N	-1	0	255.701	2.574	40	30		CFEBRM
C=C[C@H]1CCCCN1C(=O)CC(CC)(CC)C(=O)[O-]	ZINC000634945357	383416520	/nfs/dbraw/zinc/41/65/20/383416520.db2.gz	PZBCUCRDRQZEDI-LBPRGKRZSA-N	-1	0	267.369	2.835	40	30		CFEBRM
O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccccc1	ZINC000001613246	169725547	/nfs/dbraw/zinc/72/55/47/169725547.db2.gz	OXDPYOBJCCTYAF-UHFFFAOYSA-N	-1	0	289.356	2.965	40	30		CFEBRM
C=C(C(=O)[O-])[C@@H]1CC2=C(C)CCC[C@@]2(C)C[C@@H]1O	ZINC000031165699	393509059	/nfs/dbraw/zinc/50/90/59/393509059.db2.gz	MMLPRYWSGSVRRN-WHOFXGATSA-N	-1	0	250.338	2.905	40	30	biogenic,in-vitro	CFEBRM
C=C(C(=O)[O-])[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1O	ZINC000031164533	393509285	/nfs/dbraw/zinc/50/92/85/393509285.db2.gz	QTSQCCVLTMKKDP-SFDCQRBFSA-N	-1	0	250.338	2.761	40	30	biogenic,in-vitro	CFEBRM
O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl	ZINC000095686658	393812974	/nfs/dbraw/zinc/81/29/74/393812974.db2.gz	VQKMJXAMQVPHHB-UHFFFAOYSA-N	-1	0	280.498	2.809	40	30		CFEBRM
COc1ccc(C(=O)/C=C/c2ccncc2)c([O-])c1	ZINC000004707205	170002851	/nfs/dbraw/zinc/00/28/51/170002851.db2.gz	NDCUPZSBKRPIAM-GORDUTHDSA-N	-1	0	255.273	2.692	40	30		CFEBRM
N#Cc1c(Nc2ccccc2)sc2c1[nH]c(=O)cc2[O-]	ZINC000005819235	170143267	/nfs/dbraw/zinc/14/32/67/170143267.db2.gz	AIXXJZIJJCGMTF-UHFFFAOYSA-N	-1	0	283.312	2.910	40	30		CFEBRM
N=c1[n-]nc(-c2cccc(/N=C/c3ccncc3)c2)s1	ZINC000408718291	260028008	/nfs/dbraw/zinc/02/80/08/260028008.db2.gz	HNSHDWGJMQLDHN-RQZCQDPDSA-N	-1	0	281.344	2.763	40	30		CFEBRM
N/N=C1/C[C@@H](C(=O)[O-])[C@@H]2c3ccccc3-c3cccc1c32	ZINC000217613696	303219492	/nfs/dbraw/zinc/21/94/92/303219492.db2.gz	UJTAOKCPHZWBHD-IXNZMXAVSA-N	-1	0	278.311	2.566	40	30		CFEBRM
C=CCC1(C(=O)Nc2cccc(C(=O)[O-])c2)CCOCC1	ZINC000425241458	329647037	/nfs/dbraw/zinc/64/70/37/329647037.db2.gz	ANUAAUWJFDDJLV-UHFFFAOYSA-N	-1	0	289.331	2.696	40	30		CFEBRM
CCn1nc(C)c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1C	ZINC000005557315	346211900	/nfs/dbraw/zinc/21/19/00/346211900.db2.gz	MIBGJHLSTYPBDA-OVCLIPMQSA-N	-1	0	288.307	2.884	40	30		CFEBRM
C[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(=O)[O-]	ZINC000039557347	346344216	/nfs/dbraw/zinc/34/42/16/346344216.db2.gz	VYOYWBRCQAQELB-OOIIIRTPSA-N	-1	0	284.315	2.985	40	30		CFEBRM
O=C(COc1ccccc1/C=N\[O-])Nc1ccccc1F	ZINC000108309908	347739686	/nfs/dbraw/zinc/73/96/86/347739686.db2.gz	UJHIGUVDHULFGC-MFOYZWKCSA-N	-1	0	288.278	2.651	40	30		CFEBRM
N#Cc1c(C(=O)[O-])cc(-c2cccs2)[nH]c1=S	ZINC000004205367	371840318	/nfs/dbraw/zinc/84/03/18/371840318.db2.gz	BIPPXAOFXDULFE-UHFFFAOYSA-N	-1	0	262.315	2.669	40	30		CFEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2nc3ccccc3[nH]2)c1	ZINC000036166807	372564192	/nfs/dbraw/zinc/56/41/92/372564192.db2.gz	ZCLFUISNDXTDOR-NVNXTCNLSA-N	-1	0	282.259	2.927	40	30		CFEBRM
COc1ccc(C(=O)Cc2cc(C#N)c(C#N)cc2[O-])cc1	ZINC000066087413	373912587	/nfs/dbraw/zinc/91/25/87/373912587.db2.gz	NJKUZVSRRQVOEM-UHFFFAOYSA-N	-1	0	292.294	2.570	40	30		CFEBRM
C[C@@H](ON=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000006442662	296207633	/nfs/dbraw/zinc/20/76/33/296207633.db2.gz	LNBFXOGDVXIFMX-SNVBAGLBSA-N	-1	0	267.284	2.909	40	30		CFEBRM
O=C([O-])c1ccc(Cn2cc(C=NO)c3ccccc32)o1	ZINC000408541340	380943058	/nfs/dbraw/zinc/94/30/58/380943058.db2.gz	FYSPNSHRPGXUTO-UHFFFAOYSA-N	-1	0	284.271	2.789	40	30		CFEBRM
O=C([O-])c1ccc(/C=N\N=C\c2ccccc2O)cc1	ZINC000016919771	304232622	/nfs/dbraw/zinc/23/26/22/304232622.db2.gz	ZAILMIHKPZCHRQ-ZAGBYUSBSA-N	-1	0	268.272	2.543	40	30		CFEBRM
C=CCOc1c(Br)csc1C(=O)[O-]	ZINC000096511013	393835953	/nfs/dbraw/zinc/83/59/53/393835953.db2.gz	SLNYKKCDRPPIKR-UHFFFAOYSA-N	-1	0	263.112	2.774	40	30		CFEBRM
CCCCCCCCCC[C@@H]([NH3+])P(=O)([O-])[O-]	ZINC000001720868	371702220	/nfs/dbraw/zinc/70/22/20/371702220.db2.gz	DFXYEKJCPVOHIO-NSHDSACASA-N	-1	0	251.307	2.980	40	30		CFEBRM
O=C([O-])c1ccccc1/C=N\N=C/c1ccccc1O	ZINC000016919780	372120758	/nfs/dbraw/zinc/12/07/58/372120758.db2.gz	MNGDXHQRYJWATO-CQRYCMKKSA-N	-1	0	268.272	2.543	40	30		CFEBRM
Cc1cccc2c1N(CCc1ccccc1)C(=O)/C2=N\[O-]	ZINC000100897580	375629663	/nfs/dbraw/zinc/62/96/63/375629663.db2.gz	ZEXATKRLZHYNMS-SDXDJHTJSA-N	-1	0	280.327	2.763	40	30		CFEBRM
COc1ccc(/C=N/c2ccc(O)cc2)cc1C(=O)[O-]	ZINC000100287274	375617917	/nfs/dbraw/zinc/61/79/17/375617917.db2.gz	LNGHDDOMEGJMRY-CXUHLZMHSA-N	-1	0	271.272	2.850	40	30		CFEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(O)cc2)cc1)C(=O)[O-]	ZINC000408859641	380951098	/nfs/dbraw/zinc/95/10/98/380951098.db2.gz	OLJSPQMSGNDUIU-JDAJCMJVSA-N	-1	0	285.299	2.995	40	30		CFEBRM
Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1C	ZINC000408767198	380947970	/nfs/dbraw/zinc/94/79/70/380947970.db2.gz	JUYBTQVVIIGEPZ-LICLKQGHSA-N	-1	0	270.332	2.959	40	30		CFEBRM
O=C([N-]c1nncs1)c1nc2ccccc2s1	ZINC000033720015	393517316	/nfs/dbraw/zinc/51/73/16/393517316.db2.gz	RXBYXRCQVJQENQ-UHFFFAOYSA-N	-1	0	262.319	2.784	40	30		CFEBRM
C=CCOc1sc(C(=O)OC)c([O-])c1Br	ZINC000096511004	393835990	/nfs/dbraw/zinc/83/59/90/393835990.db2.gz	BBDFFXAULUZHKS-UHFFFAOYSA-N	-1	0	293.138	2.568	40	30		CFEBRM
COC(=O)c1sc2c(cnc3c(C#N)cccc23)c1[O-]	ZINC000062719770	292040938	/nfs/dbraw/zinc/04/09/38/292040938.db2.gz	IPFITNPYDDQHIS-UHFFFAOYSA-N	-1	0	284.296	2.813	40	30		CFEBRM
O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(O)cc1[O-]	ZINC000004783205	170016017	/nfs/dbraw/zinc/01/60/17/170016017.db2.gz	SQQNYFMYKXCRKD-ORCRQEGFSA-N	-1	0	284.267	2.723	40	30		CFEBRM
CCCSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000004945392	170043753	/nfs/dbraw/zinc/04/37/53/170043753.db2.gz	XZLONKJLPPEHCG-UHFFFAOYSA-N	-1	0	266.347	2.669	40	30		CFEBRM
COc1ccc(OC)c(/C(=N/[O-])c2cccs2)c1	ZINC000005916181	170155078	/nfs/dbraw/zinc/15/50/78/170155078.db2.gz	GOGABPPMBGDZDD-YPKPFQOOSA-N	-1	0	263.318	2.992	40	30		CFEBRM
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000032227842	171721772	/nfs/dbraw/zinc/72/17/72/171721772.db2.gz	XASZGQGECHWCOV-YBEGLDIGSA-N	-1	0	270.288	2.839	40	30		CFEBRM
CCc1cc(C)n(Cc2ccc(C#N)cc2)c1C(=O)[O-]	ZINC000078405442	177338567	/nfs/dbraw/zinc/33/85/67/177338567.db2.gz	MSJNRDBWDISUQU-UHFFFAOYSA-N	-1	0	268.316	2.977	40	30		CFEBRM
COc1ccc(C(=O)[O-])cc1-n1c(C)cc(C#N)c1C	ZINC000223718584	295098622	/nfs/dbraw/zinc/09/86/22/295098622.db2.gz	JBJIFHVHQJRSMN-UHFFFAOYSA-N	-1	0	270.288	2.673	40	30		CFEBRM
Cc1cc(C#CC(=O)[O-])c(C)cc1Br	ZINC000085396933	301073052	/nfs/dbraw/zinc/07/30/52/301073052.db2.gz	SASHVNSQVCOMEB-UHFFFAOYSA-N	-1	0	253.095	2.502	40	30		CFEBRM
O=C([O-])c1ccc(/N=C/c2ccc(O)cc2O)cc1	ZINC000015636509	372089807	/nfs/dbraw/zinc/08/98/07/372089807.db2.gz	BYHNHDIOEVRDLV-OVCLIPMQSA-N	-1	0	257.245	2.547	40	30		CFEBRM
CC(=O)C1=C([O-])C(=CC=Cc2ccccc2)OC1=O	ZINC000017105781	372127829	/nfs/dbraw/zinc/12/78/29/372127829.db2.gz	ABKIYVGPMWZYOU-VQDMZCOGSA-N	-1	0	256.257	2.542	40	30		CFEBRM
c1ccc(N=NC(N=Nc2nnn[n-]2)c2ccccc2)cc1	ZINC000100668707	375625931	/nfs/dbraw/zinc/62/59/31/375625931.db2.gz	CMGSWPMEQNAYSM-RLPANUFMSA-N	-1	0	292.306	2.757	40	30		CFEBRM
C/C(COC(=O)c1cc(C)nc2ccccc21)=N/O	ZINC000104371960	375781457	/nfs/dbraw/zinc/78/14/57/375781457.db2.gz	DGXIQGNTVGUPOV-YBEGLDIGSA-N	-1	0	258.277	2.550	40	30		CFEBRM
COc1ccc(/C=N/c2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000059475085	393625564	/nfs/dbraw/zinc/62/55/64/393625564.db2.gz	AGQZKXLFEOFULJ-CXUHLZMHSA-N	-1	0	271.272	2.850	40	30		CFEBRM
COc1ccc(O)c(/C=N/c2ccc(C(=O)[O-])cc2)c1	ZINC000003122919	169858376	/nfs/dbraw/zinc/85/83/76/169858376.db2.gz	QBUCOIMTCULYJT-CXUHLZMHSA-N	-1	0	271.272	2.850	40	30		CFEBRM
CC(C)(/C=N\O)SC(=S)[N-]Nc1ccccc1	ZINC000005379378	170091761	/nfs/dbraw/zinc/09/17/61/170091761.db2.gz	QPOHOYZPWFNXEO-WQLSENKSSA-N	-1	0	269.395	2.860	40	30		CFEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCO2	ZINC000020925683	171280446	/nfs/dbraw/zinc/28/04/46/171280446.db2.gz	RQRGSVQMKGNGTH-LICLKQGHSA-N	-1	0	298.298	2.950	40	30		CFEBRM
N#Cc1cc(C(=O)[O-])ccc1OCc1ccccc1	ZINC000038540310	174146003	/nfs/dbraw/zinc/14/60/03/174146003.db2.gz	LSHOVMIYDITWFZ-UHFFFAOYSA-N	-1	0	253.257	2.835	40	30		CFEBRM
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1/C2=N\[O-]	ZINC000022241220	275488678	/nfs/dbraw/zinc/48/86/78/275488678.db2.gz	LPHDYKCTQHQVKE-BMRADRMJSA-N	-1	0	297.270	2.760	40	30		CFEBRM
N/N=C1/C[C@H](C(=O)[O-])[C@H]2c3ccccc3-c3cccc1c32	ZINC000217613787	303219294	/nfs/dbraw/zinc/21/92/94/303219294.db2.gz	UJTAOKCPHZWBHD-FNWYQMQTSA-N	-1	0	278.311	2.566	40	30		CFEBRM
O=[N+]([O-])c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000083328262	304802039	/nfs/dbraw/zinc/80/20/39/304802039.db2.gz	HCJNPFBSKRVERC-ZSOIEALJSA-N	-1	0	287.231	2.959	40	30		CFEBRM
CCOC(=O)c1c[n-]c2c(C#N)cccc2c1=S	ZINC000062719773	521575527	/nfs/dbraw/zinc/57/55/27/521575527.db2.gz	AEEBCJDKCZKGHF-UHFFFAOYSA-N	-1	0	258.302	2.572	40	30		CFEBRM
O=C([O-])COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1	ZINC000006890470	346215821	/nfs/dbraw/zinc/21/58/21/346215821.db2.gz	WRXWKLIDJGNCIJ-NTEUORMPSA-N	-1	0	294.306	2.972	40	30		CFEBRM
N#Cc1cccc2c3nn(-c4ccccc4)c(=O)c-3c[n-]c12	ZINC000064873742	283213679	/nfs/dbraw/zinc/21/36/79/283213679.db2.gz	MHOMVKCGAFTEJC-UHFFFAOYSA-N	-1	0	286.294	2.739	40	30		CFEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccccc2O)c1	ZINC000033849787	372500632	/nfs/dbraw/zinc/50/06/32/372500632.db2.gz	IVLAJZAWUQXYSU-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
c1ccc(N=NC(N=Nc2nnn[n-]2)c2ccccc2)cc1	ZINC000100668710	375626328	/nfs/dbraw/zinc/62/63/28/375626328.db2.gz	CMGSWPMEQNAYSM-MWPXPLBMSA-N	-1	0	292.306	2.757	40	30		CFEBRM
CCCCCCCCCCN(CCO)C(=O)/C=C\C(=O)[O-]	ZINC000100924206	375631076	/nfs/dbraw/zinc/63/10/76/375631076.db2.gz	CGAKNEVMTVWEBR-KHPPLWFESA-N	-1	0	299.411	2.589	40	30		CFEBRM
CC(C)(C)c1[n-]c(=O)c(Br)cc1C#N	ZINC000096510627	393834548	/nfs/dbraw/zinc/83/45/48/393834548.db2.gz	RWVBMVSLENBLGJ-UHFFFAOYSA-N	-1	0	255.115	2.719	40	30		CFEBRM
C[C@@H](Oc1ccc(/C=N/c2ccco2)cc1)C(=O)[O-]	ZINC000059302277	397590098	/nfs/dbraw/zinc/59/00/98/397590098.db2.gz	ZEBADJXBLIDSDK-KXUVPBGPSA-N	-1	0	259.261	2.882	40	30		CFEBRM
C=C(C(=O)[O-])[C@@H]1C[C@H](O)[C@]2(C)CCCC(=C)[C@@H]2C1	ZINC000035457709	277762501	/nfs/dbraw/zinc/76/25/01/277762501.db2.gz	IBJRJSQUSVUUDO-PWNZVWSESA-N	-1	0	250.338	2.761	40	30	biogenic,in-vitro	CFEBRM
CCCCCCCCS(=O)(=O)CCCC(=O)[O-]	ZINC000001600677	371686969	/nfs/dbraw/zinc/68/69/69/371686969.db2.gz	JKQCCJQZYOEDMC-UHFFFAOYSA-N	-1	0	264.387	2.627	40	30		CFEBRM
Cc1cc(=O)oc2c(/C=N/c3ccncc3)c([O-])ccc12	ZINC000016266772	372103145	/nfs/dbraw/zinc/10/31/45/372103145.db2.gz	JYDUFQFPMBTEQP-GIJQJNRQSA-N	-1	0	280.283	2.953	40	30		CFEBRM
CC(C)[C@@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000017429989	372134693	/nfs/dbraw/zinc/13/46/93/372134693.db2.gz	XGKRTQSMOMJPIE-JBARUQGQSA-N	-1	0	255.701	2.574	40	30		CFEBRM
CC(C)(CO)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000018188245	372142958	/nfs/dbraw/zinc/14/29/58/372142958.db2.gz	JYHCRFQXADYFFS-LHHJGKSTSA-N	-1	0	262.136	2.889	40	30		CFEBRM
CCCCC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000017176368	372129690	/nfs/dbraw/zinc/12/96/90/372129690.db2.gz	LGNIJSJHMTUWHN-SDNWHVSQSA-N	-1	0	265.269	2.638	40	30		CFEBRM
CCCC/N=C(\C)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362693	375619733	/nfs/dbraw/zinc/61/97/33/375619733.db2.gz	WBEJYHDMVVRSLZ-GZTJUZNOSA-N	-1	0	272.348	2.853	40	30		CFEBRM
O=c1oc2ccccc2c([O-])c1C=Nc1cccc(F)c1	ZINC000101502117	375635760	/nfs/dbraw/zinc/63/57/60/375635760.db2.gz	LHSKJILKUUVNPV-UKTHLTGXSA-N	-1	0	283.258	2.923	40	30		CFEBRM
C=CCNC(=S)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000216931221	382785292	/nfs/dbraw/zinc/78/52/92/382785292.db2.gz	YLJNNIIHNMBVPX-UHFFFAOYSA-N	-1	0	270.741	2.511	40	30		CFEBRM
Cc1cc(/C=N/OCC(=O)[O-])c(C)n1-c1ccccc1	ZINC000226033020	382824467	/nfs/dbraw/zinc/82/44/67/382824467.db2.gz	ZROUSPNWHKFPRC-CXUHLZMHSA-N	-1	0	272.304	2.529	40	30		CFEBRM
O=C([O-])c1ccccc1NC1=CC(=O)C(=O)c2ccccc21	ZINC000003151228	304270718	/nfs/dbraw/zinc/27/07/18/304270718.db2.gz	DKNWWFXZRIJCFI-UHFFFAOYSA-N	-1	0	293.278	2.603	40	30		CFEBRM
C=CCN1C(=O)CCc2cc(SCCC(=O)[O-])ccc21	ZINC000218813034	130771128	/nfs/dbraw/zinc/77/11/28/130771128.db2.gz	DGZJERXSWJHYJE-UHFFFAOYSA-N	-1	0	291.372	2.719	40	30		CFEBRM
O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1[O-]	ZINC000005277875	170082079	/nfs/dbraw/zinc/08/20/79/170082079.db2.gz	PSYVAIWGYVDYHN-FNORWQNLSA-N	-1	0	256.257	2.700	40	30		CFEBRM
O=C([O-])C[C@@H](CNOC(=O)c1ccccc1)c1ccccc1	ZINC000005604195	170119042	/nfs/dbraw/zinc/11/90/42/170119042.db2.gz	BOHZDUQWWPEBIH-HNNXBMFYSA-N	-1	0	299.326	2.607	40	30		CFEBRM
[O-]/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1	ZINC000005944541	170160491	/nfs/dbraw/zinc/16/04/91/170160491.db2.gz	OVTDVLOQKHSZDK-PJQLUOCWSA-N	-1	0	267.647	2.870	40	30		CFEBRM
N#Cc1c([O-])sc(=O)c(C#N)c1-c1ccc(Cl)cc1	ZINC000005896143	303177912	/nfs/dbraw/zinc/17/79/12/303177912.db2.gz	CWAHHSJCHFBRBX-UHFFFAOYSA-N	-1	0	288.715	2.878	40	30		CFEBRM
N/N=C1/C[C@@H](C(=O)[O-])[C@H]2c3ccccc3-c3cccc1c32	ZINC000217613857	303219472	/nfs/dbraw/zinc/21/94/72/303219472.db2.gz	UJTAOKCPHZWBHD-VRJMPRGFSA-N	-1	0	278.311	2.566	40	30		CFEBRM
CSC(C)(C)/C=N/OC([O-])=NC(=O)c1ccccc1	ZINC000001719900	525286689	/nfs/dbraw/zinc/28/66/89/525286689.db2.gz	GAMRDBNXXILIPJ-NTEUORMPSA-N	-1	0	280.349	2.680	40	30		CFEBRM
COC(=O)c1ccccc1C([O-])=C(c1ccccc1)[N+](=O)[O-]	ZINC000003130453	371776050	/nfs/dbraw/zinc/77/60/50/371776050.db2.gz	QRNXWMIKYCRKRD-AWEZNQCLSA-N	-1	0	299.282	2.674	40	30		CFEBRM
O=C([O-])C(CS)(c1ccccc1)c1ccccc1	ZINC000004362823	371852567	/nfs/dbraw/zinc/85/25/67/371852567.db2.gz	GRQWVXFUKGSABP-UHFFFAOYSA-N	-1	0	258.342	2.987	40	30		CFEBRM
COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1O	ZINC000034602673	372509753	/nfs/dbraw/zinc/50/97/53/372509753.db2.gz	BWFSBUVPIAIXKJ-KXFIGUGUSA-N	-1	0	286.283	2.708	40	30		CFEBRM
COC(=O)CCCCC1=CC[C@@H]2C(=O)C=C(O)[C@H]2C1	ZINC000104276590	375777306	/nfs/dbraw/zinc/77/73/06/375777306.db2.gz	WJGOIDZQTASVPJ-RYUDHWBXSA-N	-1	0	264.321	2.697	40	30		CFEBRM
N#Cc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408965248	380950251	/nfs/dbraw/zinc/95/02/51/380950251.db2.gz	UZPHENMRFVBXKE-CXUHLZMHSA-N	-1	0	267.244	2.923	40	30		CFEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccc3c(c2)OCO3)c1[O-]	ZINC000409071505	380953330	/nfs/dbraw/zinc/95/33/30/380953330.db2.gz	PCSASUYTNMJQFC-CHHVJCJISA-N	-1	0	286.243	2.780	40	30		CFEBRM
O=C([O-])c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1O	ZINC000059475087	256796027	/nfs/dbraw/zinc/79/60/27/256796027.db2.gz	XZPJSAZEDVDQSL-OVCLIPMQSA-N	-1	0	286.243	2.749	40	30		CFEBRM
C#CCOc1c(C(=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000225284673	130808882	/nfs/dbraw/zinc/80/88/82/130808882.db2.gz	LMQOOUOFAPHXRV-UHFFFAOYSA-N	-1	0	277.276	2.603	40	30		CFEBRM
CCNC(=S)N/N=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000058822351	285581644	/nfs/dbraw/zinc/58/16/44/285581644.db2.gz	HIPJYFOLUGCNKZ-LHHJGKSTSA-N	-1	0	292.191	2.517	40	30		CFEBRM
COc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000004738506	170008514	/nfs/dbraw/zinc/00/85/14/170008514.db2.gz	TZWLQSVMWOIRBB-MHWRWJLKSA-N	-1	0	270.288	2.839	40	30		CFEBRM
N#CCCn1cc(C(=O)[O-])c(-c2ccc(Cl)cc2)n1	ZINC000005000364	170052714	/nfs/dbraw/zinc/05/27/14/170052714.db2.gz	YLDNIEKBDXRSCM-UHFFFAOYSA-N	-1	0	275.695	2.815	40	30		CFEBRM
[O-]C(NN=C1CCCC1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000005566693	170114328	/nfs/dbraw/zinc/11/43/28/170114328.db2.gz	YJLZARZNOOBWLO-UHFFFAOYSA-N	-1	0	297.079	2.858	40	30		CFEBRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)OCO2	ZINC000006673805	170225002	/nfs/dbraw/zinc/22/50/02/170225002.db2.gz	VTOZMSPAJHBOQQ-LICLKQGHSA-N	-1	0	298.298	2.950	40	30		CFEBRM
CC(=O)C1=C([O-])C(=CC=Cc2ccccc2)OC1=O	ZINC000005385684	277932653	/nfs/dbraw/zinc/93/26/53/277932653.db2.gz	ABKIYVGPMWZYOU-LRELXJSQSA-N	-1	0	256.257	2.542	40	30		CFEBRM
CCSC(=S)S[C@@](C)(C#N)CCC(=O)[O-]	ZINC000115962583	327207911	/nfs/dbraw/zinc/20/79/11/327207911.db2.gz	KEWSCDNULKOKTG-SECBINFHSA-N	-1	0	263.409	2.905	40	30		CFEBRM
CCCCCCCCCCS(=O)(=O)CC(=O)[O-]	ZINC000001583652	371682796	/nfs/dbraw/zinc/68/27/96/371682796.db2.gz	CSRVRDJOQWLXHK-UHFFFAOYSA-N	-1	0	264.387	2.627	40	30		CFEBRM
O=C([O-])c1ccc(/N=C\c2ccc(O)cc2O)cc1	ZINC000004530059	371862562	/nfs/dbraw/zinc/86/25/62/371862562.db2.gz	BYHNHDIOEVRDLV-NVNXTCNLSA-N	-1	0	257.245	2.547	40	30		CFEBRM
Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1CC#N	ZINC000014607818	372071328	/nfs/dbraw/zinc/07/13/28/372071328.db2.gz	FOLQYJDLUHYPGV-UHFFFAOYSA-N	-1	0	270.317	2.562	40	30		CFEBRM
CCCCCCCCCC[C@H]([NH3+])P(=O)([O-])[O-]	ZINC000100301955	375618169	/nfs/dbraw/zinc/61/81/69/375618169.db2.gz	DFXYEKJCPVOHIO-LLVKDONJSA-N	-1	0	251.307	2.980	40	30		CFEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccccc2O)c1[O-]	ZINC000103287234	375728174	/nfs/dbraw/zinc/72/81/74/375728174.db2.gz	ANNIUCHBAXJUNU-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
COc1ccc(Br)cc1/C(Cl)=N/[O-]	ZINC000217565229	382786995	/nfs/dbraw/zinc/78/69/95/382786995.db2.gz	WOVZQRXEFSCBRN-FLIBITNWSA-N	-1	0	264.506	2.832	40	30		CFEBRM
Cc1ccc(-c2ccc3c(c2)/C(=N/[O-])C(=O)N3)cc1	ZINC000254286886	383466406	/nfs/dbraw/zinc/46/64/06/383466406.db2.gz	OULXDAJEOBCECA-UHFFFAOYSA-N	-1	0	252.273	2.792	40	30		CFEBRM
N#CC=C([O-])c1cccc(C(F)(F)F)c1[N+](=O)[O-]	ZINC000169801714	397605745	/nfs/dbraw/zinc/60/57/45/397605745.db2.gz	ZIRCVHLMPOJNNH-UHFFFAOYSA-N	-1	0	258.155	2.710	40	30		CFEBRM
O=C([O-])C[C@H](CNOC(=O)c1ccccc1)c1ccccc1	ZINC000005604316	170118931	/nfs/dbraw/zinc/11/89/31/170118931.db2.gz	BOHZDUQWWPEBIH-OAHLLOKOSA-N	-1	0	299.326	2.607	40	30		CFEBRM
COC(=O)c1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000005742782	170135829	/nfs/dbraw/zinc/13/58/29/170135829.db2.gz	PCSJYVYSYNZDKR-LICLKQGHSA-N	-1	0	298.298	2.617	40	30		CFEBRM
O=[N+]([O-])c1cccc(C=NNc2ccccc2)c1[O-]	ZINC000034107907	171831107	/nfs/dbraw/zinc/83/11/07/171831107.db2.gz	LEBKUEZLYPFPDO-NTEUORMPSA-N	-1	0	257.249	2.746	40	30		CFEBRM
C/C(=N\O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643606	277731908	/nfs/dbraw/zinc/73/19/08/277731908.db2.gz	OUWXUNLUNBWFDT-WOJGMQOQSA-N	-1	0	294.310	2.895	40	30		CFEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(C#N)c(=O)[n-]c2C1	ZINC000066087986	278508836	/nfs/dbraw/zinc/50/88/36/278508836.db2.gz	XGQDPGCADHAESA-SECBINFHSA-N	-1	0	255.321	2.682	40	30		CFEBRM
C[C@H](/C(=N\[O-])c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000104237490	297943804	/nfs/dbraw/zinc/94/38/04/297943804.db2.gz	OQRWHCYNZKHNHQ-AFMLGWFNSA-N	-1	0	294.310	2.550	40	30		CFEBRM
N#Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)cc1Cl	ZINC000061845187	303193502	/nfs/dbraw/zinc/19/35/02/303193502.db2.gz	NQBHMJZCICCFNB-JTQLQIEISA-N	-1	0	264.712	2.513	40	30		CFEBRM
C=CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000117577720	527172579	/nfs/dbraw/zinc/17/25/79/527172579.db2.gz	LFGCDZGIEOJPMD-SNVBAGLBSA-N	-1	0	257.330	2.711	40	30		CFEBRM
C[C@@H](/C(=N\[O-])c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000104237486	295691252	/nfs/dbraw/zinc/69/12/52/295691252.db2.gz	OQRWHCYNZKHNHQ-IRPICPOESA-N	-1	0	294.310	2.550	40	30		CFEBRM
O=C([O-])C(O)=CC(=O)c1ccc(Cl)c(Cl)c1	ZINC000000006887	371508099	/nfs/dbraw/zinc/50/80/99/371508099.db2.gz	GSOHBWOXNJUKOH-WTKPLQERSA-N	-1	0	261.060	2.703	40	30		CFEBRM
C[C@H](ON=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000001599915	371686988	/nfs/dbraw/zinc/68/69/88/371686988.db2.gz	LNBFXOGDVXIFMX-JTQLQIEISA-N	-1	0	267.284	2.909	40	30		CFEBRM
O=C(/C=C\c1ccc(O)cc1)c1ccc(O)cc1[O-]	ZINC000003869607	371820843	/nfs/dbraw/zinc/82/08/43/371820843.db2.gz	DXDRHHKMWQZJHT-BAQGIRSFSA-N	-1	0	256.257	2.700	40	30	biogenic,in-vitro	CFEBRM
Clc1cccc(-c2ccc(CN=Nc3nnn[n-]3)o2)c1	ZINC000016399055	372105275	/nfs/dbraw/zinc/10/52/75/372105275.db2.gz	GOQJOYJFHLJSHI-VGOFMYFVSA-N	-1	0	288.698	2.559	40	30		CFEBRM
O=C1c2ccccc2C(=O)C1=Cc1cccc([N+](=O)[O-])c1[O-]	ZINC000016524287	372108482	/nfs/dbraw/zinc/10/84/82/372108482.db2.gz	PTJHYXZBXQHINL-UHFFFAOYSA-N	-1	0	295.250	2.763	40	30		CFEBRM
O=C([O-])CC[C@@](F)(OC(F)(F)F)C(F)(F)F	ZINC000016159364	372101208	/nfs/dbraw/zinc/10/12/08/372101208.db2.gz	RNKVRXPFNPPBHP-SCSAIBSYSA-N	-1	0	258.089	2.616	40	30		CFEBRM
CCOC(=O)/C(=N\[O-])C(C)(C)c1ccnc2ccccc21	ZINC000017001588	372125203	/nfs/dbraw/zinc/12/52/03/372125203.db2.gz	OWIBBCXXXSNKAQ-NBVRZTHBSA-N	-1	0	286.331	2.906	40	30		CFEBRM
O=[N+]([O-])c1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408961129	380950769	/nfs/dbraw/zinc/95/07/69/380950769.db2.gz	AICLRGDKWKLBHG-ZSOIEALJSA-N	-1	0	287.231	2.959	40	30		CFEBRM
Cc1cc(C#N)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000223716462	382806638	/nfs/dbraw/zinc/80/66/38/382806638.db2.gz	WLOZDJKSFFWRIY-UHFFFAOYSA-N	-1	0	254.289	2.972	40	30		CFEBRM
CC(C)c1[n-]c(=O)nc(-c2ccc(F)cc2)c1C#N	ZINC000095829994	393813283	/nfs/dbraw/zinc/81/32/83/393813283.db2.gz	GJVBQMULPHKTIH-UHFFFAOYSA-N	-1	0	257.268	2.983	40	30		CFEBRM
O=C(C=C([O-])c1ccccc1)O/N=C/c1ccccc1O	ZINC000005601196	170118085	/nfs/dbraw/zinc/11/80/85/170118085.db2.gz	UCNCWIOHNLXREG-GZTJUZNOSA-N	-1	0	283.283	2.542	40	30		CFEBRM
N#Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000409203672	261149179	/nfs/dbraw/zinc/14/91/79/261149179.db2.gz	YEKZYPIQGVNPPA-UHFFFAOYSA-N	-1	0	299.257	2.753	40	30		CFEBRM
COCc1ccc(/C=N/c2cccc(C(=O)[O-])c2)o1	ZINC000059522906	262390155	/nfs/dbraw/zinc/39/01/55/262390155.db2.gz	YOCLHAWUBMZCNL-OVCLIPMQSA-N	-1	0	259.261	2.875	40	30		CFEBRM
C=C(C(=O)[O-])[C@H]1C[C@@H]2C(=C)CCC[C@@]2(C)[C@@H](O)C1	ZINC000035457715	517313688	/nfs/dbraw/zinc/31/36/88/517313688.db2.gz	IBJRJSQUSVUUDO-SFDCQRBFSA-N	-1	0	250.338	2.761	40	30	biogenic,in-vitro	CFEBRM
N#Cc1ccccc1COc1ccccc1/C=N/[O-]	ZINC000033596632	346312036	/nfs/dbraw/zinc/31/20/36/346312036.db2.gz	XTZMALHPOHHBCZ-LICLKQGHSA-N	-1	0	252.273	2.945	40	30		CFEBRM
Cc1ccccc1NC(=O)COc1ccccc1/C=N\[O-]	ZINC000137789928	347914419	/nfs/dbraw/zinc/91/44/19/347914419.db2.gz	KPHRMFXUBJOLAW-YVLHZVERSA-N	-1	0	284.315	2.821	40	30		CFEBRM
N#Cc1c(Cl)nc(C2CC2)c(Cl)c1C(=O)[O-]	ZINC000409442079	348602243	/nfs/dbraw/zinc/60/22/43/348602243.db2.gz	STKNCKPADFKOIV-UHFFFAOYSA-N	-1	0	257.076	2.836	40	30		CFEBRM
O=C([O-])C1=CC(=C2C=CC(=O)C=C2)Nc2ccccc21	ZINC000100487301	304035575	/nfs/dbraw/zinc/03/55/75/304035575.db2.gz	CHOPUZNXGMXGOA-UHFFFAOYSA-N	-1	0	265.268	2.529	40	30		CFEBRM
O=C([O-])CSC(F)(F)C(F)(F)C(F)(F)F	ZINC000002529910	304071856	/nfs/dbraw/zinc/07/18/56/304071856.db2.gz	QGUZLZPSVHUJGC-UHFFFAOYSA-N	-1	0	260.130	2.595	40	30		CFEBRM
COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1O	ZINC000004252597	371844140	/nfs/dbraw/zinc/84/41/40/371844140.db2.gz	BWFSBUVPIAIXKJ-QHHAFSJGSA-N	-1	0	286.283	2.708	40	30	biogenic,in-vitro	CFEBRM
O=C([O-])COc1cccc(/C=N\c2ccccc2)c1	ZINC000409212776	380955640	/nfs/dbraw/zinc/95/56/40/380955640.db2.gz	RDAHMPDDPSLSBC-YBEGLDIGSA-N	-1	0	255.273	2.901	40	30		CFEBRM
COc1cc(/C=N/c2cccc(C)n2)c([O-])c([N+](=O)[O-])c1	ZINC000005588431	170116508	/nfs/dbraw/zinc/11/65/08/170116508.db2.gz	OIXNFALQFFPNIC-OVCLIPMQSA-N	-1	0	287.275	2.763	40	30		CFEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000016711628	170710267	/nfs/dbraw/zinc/71/02/67/170710267.db2.gz	PXPMTLOPTFVWHH-MHWRWJLKSA-N	-1	0	255.277	2.616	40	30		CFEBRM
CCc1cc(C)n(Cc2ccc(C(=O)[O-])cc2)c1C#N	ZINC000078405281	177338480	/nfs/dbraw/zinc/33/84/80/177338480.db2.gz	YJYFJIUJDQSAJA-UHFFFAOYSA-N	-1	0	268.316	2.977	40	30		CFEBRM
N#CC=C([O-])c1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000169801736	303148135	/nfs/dbraw/zinc/14/81/35/303148135.db2.gz	BWYKKBDOVMEKFC-UHFFFAOYSA-N	-1	0	258.155	2.710	40	30		CFEBRM
CCOC(=O)/C(=N/[O-])C(C)(C)c1ccnc2ccccc21	ZINC000104149054	185912052	/nfs/dbraw/zinc/91/20/52/185912052.db2.gz	OWIBBCXXXSNKAQ-JXAWBTAJSA-N	-1	0	286.331	2.906	40	30		CFEBRM
N#C[C@H](Cc1cccc(-c2ccccn2)c1)C(=O)[O-]	ZINC000585656332	540178490	/nfs/dbraw/zinc/17/84/90/540178490.db2.gz	UDHZHXZNFCMQAI-ZDUSSCGKSA-N	-1	0	252.273	2.515	40	30		CFEBRM
COc1ccc(O)c(/C=N/c2ccccc2C(=O)[O-])c1	ZINC000003122930	371774745	/nfs/dbraw/zinc/77/47/45/371774745.db2.gz	HUSPWKOXCCTBDN-CXUHLZMHSA-N	-1	0	271.272	2.850	40	30		CFEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccccc2[N+](=O)[O-])c1[O-]	ZINC000004530077	371862461	/nfs/dbraw/zinc/86/24/61/371862461.db2.gz	MERBIIIKTPYQQH-ZSOIEALJSA-N	-1	0	287.231	2.959	40	30		CFEBRM
N#Cc1cccc(COc2ccccc2C(=O)[O-])c1	ZINC000013411967	372026514	/nfs/dbraw/zinc/02/65/14/372026514.db2.gz	UKRAURQKXLLQFW-UHFFFAOYSA-N	-1	0	253.257	2.835	40	30		CFEBRM
COc1ccc(/N=C\c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000036617825	372581813	/nfs/dbraw/zinc/58/18/13/372581813.db2.gz	GIXUZZOBGNAQDU-YVLHZVERSA-N	-1	0	285.299	2.909	40	30		CFEBRM
C#CCOc1ccc(Br)cc1/C=C/C(=O)[O-]	ZINC000006373386	170196114	/nfs/dbraw/zinc/19/61/14/170196114.db2.gz	CYRJCONUSKSLEF-ZZXKWVIFSA-N	-1	0	281.105	2.559	40	30		CFEBRM
Cc1c(C(=O)[O-])oc2c1-c1nc(CC#N)sc1CC2	ZINC000016778523	300949909	/nfs/dbraw/zinc/94/99/09/300949909.db2.gz	NPEXJGNMYPQQAI-UHFFFAOYSA-N	-1	0	274.301	2.574	40	30		CFEBRM
Cc1cc(C#N)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000223716544	301073084	/nfs/dbraw/zinc/07/30/84/301073084.db2.gz	LKDCNNKPONXAOT-UHFFFAOYSA-N	-1	0	254.289	2.972	40	30		CFEBRM
N#Cc1c(=O)c2cc(F)ccc2[n-]c1C(F)(F)F	ZINC000075629441	303177489	/nfs/dbraw/zinc/17/74/89/303177489.db2.gz	RBJLVJCKIVLYNW-UHFFFAOYSA-N	-1	0	256.158	2.970	40	30		CFEBRM
Cc1nc(NC[C@@H](CC(=O)[O-])C2CC2)c(Cl)cc1C#N	ZINC000685938911	539988610	/nfs/dbraw/zinc/98/86/10/539988610.db2.gz	AYIRSTAMTYBRGK-LLVKDONJSA-N	-1	0	293.754	2.828	40	30		CFEBRM
COc1ccc(O)c(/C(Cc2ccccc2)=N/[O-])c1	ZINC000016215185	372103320	/nfs/dbraw/zinc/10/33/20/372103320.db2.gz	RBMDDCJXGWZDLT-JQIJEIRASA-N	-1	0	257.289	2.822	40	30		CFEBRM
CC=CC=CC(=O)CC[C@@]1(C)OC(=O)C(C)=C1[O-]	ZINC000017139934	372129785	/nfs/dbraw/zinc/12/97/85/372129785.db2.gz	GQFGVUPBODCMSV-CSCQXIRYSA-N	-1	0	250.294	2.616	40	30		CFEBRM
O=[N+]([O-])c1cccc(/C=N/Cc2ccccc2)c1[O-]	ZINC000036617833	372582428	/nfs/dbraw/zinc/58/24/28/372582428.db2.gz	BNVNNCYZVDDOJY-XNTDXEJSSA-N	-1	0	256.261	2.920	40	30		CFEBRM
N#Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)cc1Cl	ZINC000061845188	373733429	/nfs/dbraw/zinc/73/34/29/373733429.db2.gz	NQBHMJZCICCFNB-SNVBAGLBSA-N	-1	0	264.712	2.513	40	30		CFEBRM
N#Cc1cc(-c2ccccc2C(F)(F)F)c[n-]c1=O	ZINC000064220241	373819687	/nfs/dbraw/zinc/81/96/87/373819687.db2.gz	LUQMMAVCXNRFCT-UHFFFAOYSA-N	-1	0	264.206	2.932	40	30		CFEBRM
Cn1c(=O)c(C(=O)/C=C/c2ccco2)c([O-])c2ccccc21	ZINC000100362529	375619640	/nfs/dbraw/zinc/61/96/40/375619640.db2.gz	BOWUYWXPNLRIGM-CMDGGOBGSA-N	-1	0	295.294	2.733	40	30		CFEBRM
Cc1cccc(NC(=O)COc2ccccc2/C=N/[O-])c1	ZINC000409057727	380952983	/nfs/dbraw/zinc/95/29/83/380952983.db2.gz	QMJRSEWNTGGFFN-LICLKQGHSA-N	-1	0	284.315	2.821	40	30		CFEBRM
[O-]c1c(Br)cc(C=NO)cc1Br	ZINC000255004231	383474364	/nfs/dbraw/zinc/47/43/64/383474364.db2.gz	UVKQTDFYDUQTKK-UHFFFAOYSA-N	-1	0	294.930	2.725	40	30		CFEBRM
C[C@H](Oc1ccc(/C=N/c2ccco2)cc1)C(=O)[O-]	ZINC000059302276	256795952	/nfs/dbraw/zinc/79/59/52/256795952.db2.gz	ZEBADJXBLIDSDK-CNOAHFENSA-N	-1	0	259.261	2.882	40	30		CFEBRM
Cc1ccc(NC(=O)COc2ccccc2/C=N/[O-])cc1	ZINC000006212733	393462495	/nfs/dbraw/zinc/46/24/95/393462495.db2.gz	IUAIVKBILHAUIE-LICLKQGHSA-N	-1	0	284.315	2.821	40	30		CFEBRM
C=CCOCc1ccc(Br)cc1C(=O)[O-]	ZINC000072209164	397590641	/nfs/dbraw/zinc/59/06/41/397590641.db2.gz	REXGZTSORQKSNZ-UHFFFAOYSA-N	-1	0	271.110	2.850	40	30		CFEBRM
COc1ccc(C(=O)/C=C/c2cccnc2)c([O-])c1	ZINC000004707204	170003110	/nfs/dbraw/zinc/00/31/10/170003110.db2.gz	BHHYCLIWDCRSPU-QPJJXVBHSA-N	-1	0	255.273	2.692	40	30		CFEBRM
O=C([O-])c1cc(C(=O)/C=C\c2ccco2)ccc1O	ZINC000005574998	170115522	/nfs/dbraw/zinc/11/55/22/170115522.db2.gz	MRLBBQHEODASGQ-XQRVVYSFSA-N	-1	0	258.229	2.580	40	30		CFEBRM
N#Cc1c(=O)[n-]c(-c2ccccc2)c(N)c1C(F)(F)F	ZINC000001512507	303174050	/nfs/dbraw/zinc/17/40/50/303174050.db2.gz	XSOBFYJVNRZFFI-UHFFFAOYSA-N	-1	0	279.221	2.515	40	30		CFEBRM
N#Cc1cccn1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000223743969	303208338	/nfs/dbraw/zinc/20/83/38/303208338.db2.gz	XEFGOULBMLQHSG-UHFFFAOYSA-N	-1	0	272.329	2.987	40	30		CFEBRM
O=C([O-])c1ccccc1C(=O)OCC1CCC(=NO)CC1	ZINC000004963732	326813527	/nfs/dbraw/zinc/81/35/27/326813527.db2.gz	HRZFNOIBVMWZTO-UHFFFAOYSA-N	-1	0	291.303	2.562	40	30		CFEBRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000351336	371592246	/nfs/dbraw/zinc/59/22/46/371592246.db2.gz	PKNBPSWKOWSXJH-UHFFFAOYSA-N	-1	0	289.356	2.997	40	30		CFEBRM
O=C([O-])c1ccccc1/C=N/N=C/c1ccccc1O	ZINC000001709503	371699888	/nfs/dbraw/zinc/69/98/88/371699888.db2.gz	MNGDXHQRYJWATO-CZCYGEDCSA-N	-1	0	268.272	2.543	40	30		CFEBRM
O=C([O-])CC[C@](F)(OC(F)(F)F)C(F)(F)F	ZINC000016159366	372101141	/nfs/dbraw/zinc/10/11/41/372101141.db2.gz	RNKVRXPFNPPBHP-BYPYZUCNSA-N	-1	0	258.089	2.616	40	30		CFEBRM
COc1ccc(C(=O)CC(=Nc2ccccc2)C(=O)[O-])cc1	ZINC000033373284	372493166	/nfs/dbraw/zinc/49/31/66/372493166.db2.gz	ASPJZINWCCRBIM-PTNGSMBKSA-N	-1	0	297.310	2.959	40	30		CFEBRM
Cc1oc(/N=C/c2ccc(OCC(=O)[O-])cc2)c(C#N)c1C	ZINC000408948129	380950700	/nfs/dbraw/zinc/95/07/00/380950700.db2.gz	BYZMTDFDXPEJGD-QGMBQPNBSA-N	-1	0	298.298	2.982	40	30		CFEBRM
O=C([O-])COc1ccccc1/C=N/c1ccccc1	ZINC000409209158	380955320	/nfs/dbraw/zinc/95/53/20/380955320.db2.gz	GNGQHTZFGJNXKN-MHWRWJLKSA-N	-1	0	255.273	2.901	40	30		CFEBRM
COC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)cc1	ZINC000226102288	382824831	/nfs/dbraw/zinc/82/48/31/382824831.db2.gz	QQFNOPFMPRPXBR-OAHLLOKOSA-N	-1	0	279.295	2.849	40	30		CFEBRM
C#CCOc1c(Cl)c(Cl)sc1C(=O)[O-]	ZINC000096511026	393836063	/nfs/dbraw/zinc/83/60/63/393836063.db2.gz	QUNFZRIYAYUQDW-UHFFFAOYSA-N	-1	0	251.090	2.765	40	30		CFEBRM
O=C(/C=C\c1ccc(O)c(O)c1)c1ccccc1[O-]	ZINC000004783204	170016241	/nfs/dbraw/zinc/01/62/41/170016241.db2.gz	PSYVAIWGYVDYHN-ALCCZGGFSA-N	-1	0	256.257	2.700	40	30		CFEBRM
O=[N+]([O-])c1ccc(COc2ccccc2/C=N\[O-])cc1	ZINC000006926833	170256197	/nfs/dbraw/zinc/25/61/97/170256197.db2.gz	KZCHPZOHTBQOQV-DHDCSXOGSA-N	-1	0	272.260	2.982	40	30		CFEBRM
[O-]c1c(Cl)cc(Br)cc1/C=N\O	ZINC000216780211	303517064	/nfs/dbraw/zinc/51/70/64/303517064.db2.gz	BKURFPBLGDWAMT-KMKOMSMNSA-N	-1	0	250.479	2.616	40	30		CFEBRM
CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])c1ccccc1N=C2	ZINC000013637150	372037973	/nfs/dbraw/zinc/03/79/73/372037973.db2.gz	NPEXYONTBZYZFI-UHFFFAOYSA-N	-1	0	298.342	2.937	40	30		CFEBRM
O=C([O-])c1ccccc1/C=N/N=C\c1ccccc1O	ZINC000016919784	372121579	/nfs/dbraw/zinc/12/15/79/372121579.db2.gz	MNGDXHQRYJWATO-IPPJXQLGSA-N	-1	0	268.272	2.543	40	30		CFEBRM
O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(O)cc1[O-]	ZINC000017300272	372131286	/nfs/dbraw/zinc/13/12/86/372131286.db2.gz	SQQNYFMYKXCRKD-KTAJNNJTSA-N	-1	0	284.267	2.723	40	30		CFEBRM
COc1ccc(C=CC(O)=CC(=O)C(F)(F)F)cc1	ZINC000100316314	375619477	/nfs/dbraw/zinc/61/94/77/375619477.db2.gz	TXNYLZQZHXMXTJ-GORDUTHDSA-N	-1	0	272.222	2.799	40	30		CFEBRM
C#CCC(C(=O)C(C)(C)OC)=C([O-])c1ccccc1	ZINC000104103499	375766585	/nfs/dbraw/zinc/76/65/85/375766585.db2.gz	FHRDNFZLGWUZEI-CYBMUJFWSA-N	-1	0	258.317	2.503	40	30		CFEBRM
CCc1c([O-])c(C#N)c2[nH]c3cc(C)c(C)cc3n2c1=O	ZINC000104266846	375776147	/nfs/dbraw/zinc/77/61/47/375776147.db2.gz	SAKTZZCTEFKWCZ-UHFFFAOYSA-N	-1	0	281.315	2.537	40	30		CFEBRM
COc1ccc(C/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408905275	380950132	/nfs/dbraw/zinc/95/01/32/380950132.db2.gz	WLTJRBCAZWYDDW-YBEGLDIGSA-N	-1	0	286.287	2.928	40	30		CFEBRM
CC(N=Nc1ccccc1S(=O)(=O)[O-])c1ccccc1	ZINC000255186935	383477205	/nfs/dbraw/zinc/47/72/05/383477205.db2.gz	ACWVLJLIGUVPQV-RVDMUPIBSA-N	-1	0	290.344	2.769	40	30		CFEBRM
C=C(C(=O)[O-])[C@@H]1CC2=C(C)CCC[C@]2(C)C[C@@H]1O	ZINC000014451724	393479625	/nfs/dbraw/zinc/47/96/25/393479625.db2.gz	MMLPRYWSGSVRRN-CORIIIEPSA-N	-1	0	250.338	2.905	40	30	biogenic,in-vitro	CFEBRM
N#Cc1cc(Cc2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000030714719	171622188	/nfs/dbraw/zinc/62/21/88/171622188.db2.gz	ITHZVHWZLWRTFP-UHFFFAOYSA-N	-1	0	254.245	2.763	40	30		CFEBRM
C=C(C(=O)[O-])[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@H]2C1	ZINC000031157128	277762457	/nfs/dbraw/zinc/76/24/57/277762457.db2.gz	GQDFYCPPHMEHJL-BHPKHCPMSA-N	-1	0	250.338	2.761	40	30	biogenic,in-vitro	CFEBRM
Cc1cc(C#N)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000223716385	301072905	/nfs/dbraw/zinc/07/29/05/301072905.db2.gz	XYHWUUZTKXTLJZ-UHFFFAOYSA-N	-1	0	254.289	2.972	40	30		CFEBRM
C[C@@H](Oc1ccc(/C=N\c2cccc(O)c2)cc1)C(=O)[O-]	ZINC000408854299	533919203	/nfs/dbraw/zinc/91/92/03/533919203.db2.gz	BWLONDFISQJABH-VBYYMIJXSA-N	-1	0	285.299	2.995	40	30		CFEBRM
O=C([O-])c1ccc(COc2ccc(/C=N/O)cc2)cc1	ZINC000006926344	346216130	/nfs/dbraw/zinc/21/61/30/346216130.db2.gz	FECVOBJINPUYIZ-CXUHLZMHSA-N	-1	0	271.272	2.772	40	30		CFEBRM
C[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(=O)[O-]	ZINC000039557348	346343977	/nfs/dbraw/zinc/34/39/77/346343977.db2.gz	VYOYWBRCQAQELB-PBSOMRJOSA-N	-1	0	284.315	2.985	40	30		CFEBRM
CCCCCCCC(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000001579310	371683104	/nfs/dbraw/zinc/68/31/04/371683104.db2.gz	QZNATRWVQKQCCC-NSHDSACASA-N	-1	0	275.414	2.669	40	30		CFEBRM
O=[N+]([O-])c1ccc(/N=C\c2ccccc2O)c([O-])c1	ZINC000017425260	372134554	/nfs/dbraw/zinc/13/45/54/372134554.db2.gz	XIAUVVVPBGQLFT-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
CC=CC=CC(=O)CC[C@@]1(C)OC(=O)C(C)=C1[O-]	ZINC000031771788	372417803	/nfs/dbraw/zinc/41/78/03/372417803.db2.gz	GQFGVUPBODCMSV-XMYMHAQBSA-N	-1	0	250.294	2.616	40	30		CFEBRM
O=C([O-])[C@@H](S)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000071621513	374219698	/nfs/dbraw/zinc/21/96/98/374219698.db2.gz	BNGYPNUJCOTCGM-ZETCQYMHSA-N	-1	0	281.211	2.669	40	30		CFEBRM
C[C@@H](Oc1ccc(/C=N\c2ccccc2O)cc1)C(=O)[O-]	ZINC000408860409	380951483	/nfs/dbraw/zinc/95/14/83/380951483.db2.gz	UZCQFLAQNORNHI-VBYYMIJXSA-N	-1	0	285.299	2.995	40	30		CFEBRM
C=CCNC(=S)Nc1cc(/C=C/C(=O)[O-])ccc1Cl	ZINC000216929685	382785062	/nfs/dbraw/zinc/78/50/62/382785062.db2.gz	UDQSYEWWWQAZCW-GQCTYLIASA-N	-1	0	296.779	2.910	40	30		CFEBRM
O=C(COc1ccccc1/C=N/[O-])Nc1ccccc1	ZINC000013747798	393477036	/nfs/dbraw/zinc/47/70/36/393477036.db2.gz	XUSBPICRSVMZRY-MHWRWJLKSA-N	-1	0	270.288	2.512	40	30		CFEBRM
C=CCn1c(C(=O)[O-])cc2c1cc(OC)cc2OC	ZINC000072226012	393647812	/nfs/dbraw/zinc/64/78/12/393647812.db2.gz	PMQJWNFKEZVNMN-UHFFFAOYSA-N	-1	0	261.277	2.543	40	30		CFEBRM
COc1ccc(O)c(/C=N\c2ccccc2C(=O)[O-])c1	ZINC000025666488	171463369	/nfs/dbraw/zinc/46/33/69/171463369.db2.gz	HUSPWKOXCCTBDN-SXGWCWSVSA-N	-1	0	271.272	2.850	40	30		CFEBRM
N/N=C1/C[C@H](C(=O)[O-])[C@@H]2c3ccccc3-c3cccc1c32	ZINC000217613606	303219443	/nfs/dbraw/zinc/21/94/43/303219443.db2.gz	UJTAOKCPHZWBHD-DFIMZZLNSA-N	-1	0	278.311	2.566	40	30		CFEBRM
CC(C)(C)O[C@H]1CCC2=C(C(=O)[O-])C(=O)CC[C@@]21C	ZINC000039641767	346344082	/nfs/dbraw/zinc/34/40/82/346344082.db2.gz	UWCTUAFQRMLXOF-NHYWBVRUSA-N	-1	0	266.337	2.714	40	30		CFEBRM
CC(C)[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000017429993	372133755	/nfs/dbraw/zinc/13/37/55/372133755.db2.gz	XGKRTQSMOMJPIE-REPOHMLUSA-N	-1	0	255.701	2.574	40	30		CFEBRM
O=C([O-])/C(=N\OCc1ccccc1)c1ccccc1	ZINC000016969552	372122871	/nfs/dbraw/zinc/12/28/71/372122871.db2.gz	GYJYAFJFRHNIBI-PEZBUJJGSA-N	-1	0	255.273	2.692	40	30		CFEBRM
C[C@@H](/C(=N/[O-])c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000017141889	372129765	/nfs/dbraw/zinc/12/97/65/372129765.db2.gz	OQRWHCYNZKHNHQ-KLIGIEKFSA-N	-1	0	294.310	2.550	40	30		CFEBRM
CN(C)c1ccc(C=[NH+][N-]c2cccc(C(=O)[O-])c2)cc1	ZINC000033387767	372492550	/nfs/dbraw/zinc/49/25/50/372492550.db2.gz	VJJXVBDYMKJSQJ-BOPFTXTBSA-N	-1	0	283.331	2.897	40	30		CFEBRM
c1ccc(N=NC(N=Nc2nnn[n-]2)c2ccccc2)cc1	ZINC000045952234	373039289	/nfs/dbraw/zinc/03/92/89/373039289.db2.gz	CMGSWPMEQNAYSM-FGNGAWNESA-N	-1	0	292.306	2.757	40	30		CFEBRM
CCn1c(=O)c(/C=N/c2nccs2)c([O-])c2ccccc21	ZINC000100192894	375615665	/nfs/dbraw/zinc/61/56/65/375615665.db2.gz	HTCIUYZIWZCOJS-RQZCQDPDSA-N	-1	0	299.355	2.934	40	30		CFEBRM
CCn1c(=O)c(/C=N/c2cccnc2)c([O-])c2ccccc21	ZINC000100192870	375615823	/nfs/dbraw/zinc/61/58/23/375615823.db2.gz	WQXQTSRXGPWIOS-YBFXNURJSA-N	-1	0	293.326	2.873	40	30		CFEBRM
Cc1ccccc1OCCN1c2ccccc2/C(=N\[O-])C1=O	ZINC000102804201	375692934	/nfs/dbraw/zinc/69/29/34/375692934.db2.gz	MTZDSJHLRQDPDU-FBMGVBCBSA-N	-1	0	296.326	2.599	40	30		CFEBRM
O=C([O-])[C@H](Cc1ccccc1)/N=C\c1ccc(O)cc1	ZINC000104187003	375772145	/nfs/dbraw/zinc/77/21/45/375772145.db2.gz	AVABFWMEVHDXDS-ZCQLHAAUSA-N	-1	0	269.300	2.507	40	30		CFEBRM
COc1cc(C=NNc2ccccc2)c([O-])c([N+](=O)[O-])c1	ZINC000408568449	380942803	/nfs/dbraw/zinc/94/28/03/380942803.db2.gz	UPFCSDCECHNYOG-OQLLNIDSSA-N	-1	0	287.275	2.755	40	30		CFEBRM
O=C([O-])c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1	ZINC000006896691	304232519	/nfs/dbraw/zinc/23/25/19/304232519.db2.gz	AMHMPLBSIACTMD-MHWRWJLKSA-N	-1	0	299.355	2.705	40	30		CFEBRM
C=CCNC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000216928163	382785348	/nfs/dbraw/zinc/78/53/48/382785348.db2.gz	ZORFQMWFIJAWAH-UHFFFAOYSA-N	-1	0	270.741	2.511	40	30		CFEBRM
CC(C)c1c(-c2ccccc2)nc2c(C#N)c[n-]n2c1=O	ZINC000224295147	382810278	/nfs/dbraw/zinc/81/02/78/382810278.db2.gz	VGXRQCOVGLGFIM-UHFFFAOYSA-N	-1	0	278.315	2.685	40	30		CFEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c(C#N)c(=O)[n-]c2C1	ZINC000066087988	393632912	/nfs/dbraw/zinc/63/29/12/393632912.db2.gz	XGQDPGCADHAESA-VIFPVBQESA-N	-1	0	255.321	2.682	40	30		CFEBRM
C#CCOc1c(Cl)c(SC)sc1C(=O)[O-]	ZINC000096510998	393834667	/nfs/dbraw/zinc/83/46/67/393834667.db2.gz	MHHZFERZRVXBGO-UHFFFAOYSA-N	-1	0	262.739	2.834	40	30		CFEBRM
C#CCSc1sc(C(=O)OC)c([O-])c1Cl	ZINC000096510987	393834943	/nfs/dbraw/zinc/83/49/43/393834943.db2.gz	FJDZNPAQSPRWPY-UHFFFAOYSA-N	-1	0	262.739	2.619	40	30		CFEBRM
O=C([O-])c1ccc(/C=N/N=C\c2ccccc2O)cc1	ZINC000005030488	170058168	/nfs/dbraw/zinc/05/81/68/170058168.db2.gz	ZAILMIHKPZCHRQ-IPPJXQLGSA-N	-1	0	268.272	2.543	40	30		CFEBRM
Cc1cc(C=NO)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409203219	261148534	/nfs/dbraw/zinc/14/85/34/261148534.db2.gz	VVPYDYMPBJSIQK-UHFFFAOYSA-N	-1	0	258.277	2.600	40	30		CFEBRM
CC(=O)C1=C([O-])C(=CC=Cc2ccccc2)OC1=O	ZINC000017105778	277932651	/nfs/dbraw/zinc/93/26/51/277932651.db2.gz	ABKIYVGPMWZYOU-JWAJRPJHSA-N	-1	0	256.257	2.542	40	30		CFEBRM
O=[N+]([O-])c1cc(C=NNc2ccccc2)ccc1[O-]	ZINC000041213285	327226112	/nfs/dbraw/zinc/22/61/12/327226112.db2.gz	YQSVJGWFHSYBLZ-NTEUORMPSA-N	-1	0	257.249	2.746	40	30		CFEBRM
C[C@H](Oc1ccc(/C=N\c2ccccc2O)cc1)C(=O)[O-]	ZINC000408860408	230410219	/nfs/dbraw/zinc/41/02/19/230410219.db2.gz	UZCQFLAQNORNHI-MTUBTWAWSA-N	-1	0	285.299	2.995	40	30		CFEBRM
COc1ccc(C([O-])=CC(=O)c2cccnc2)cc1	ZINC000103712976	185855674	/nfs/dbraw/zinc/85/56/74/185855674.db2.gz	OCQATTRBSAPVBZ-DHDCSXOGSA-N	-1	0	255.273	2.872	40	30		CFEBRM
C#CCC(C(=O)C(C)(C)OC)=C([O-])c1ccccc1	ZINC000104103495	185895522	/nfs/dbraw/zinc/89/55/22/185895522.db2.gz	FHRDNFZLGWUZEI-ZDUSSCGKSA-N	-1	0	258.317	2.503	40	30		CFEBRM
C=CCn1c(C)csc1=Nc1ccc(C(=O)[O-])cc1	ZINC000001466422	371677112	/nfs/dbraw/zinc/67/71/12/371677112.db2.gz	ILQDDPZTNZNHRH-UHFFFAOYSA-O	-1	0	275.353	2.972	40	30		CFEBRM
C=CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002383936	371723690	/nfs/dbraw/zinc/72/36/90/371723690.db2.gz	LFGCDZGIEOJPMD-JTQLQIEISA-N	-1	0	257.330	2.711	40	30		CFEBRM
COC(=O)c1ccccc1C([O-])=C(c1ccccc1)[N+](=O)[O-]	ZINC000003130452	371776395	/nfs/dbraw/zinc/77/63/95/371776395.db2.gz	QRNXWMIKYCRKRD-CQSZACIVSA-N	-1	0	299.282	2.674	40	30		CFEBRM
C[C@H](Oc1ccc(/C=N\c2cccc(O)c2)cc1)C(=O)[O-]	ZINC000408854298	380950155	/nfs/dbraw/zinc/95/01/55/380950155.db2.gz	BWLONDFISQJABH-MTUBTWAWSA-N	-1	0	285.299	2.995	40	30		CFEBRM
O=C([O-])c1ccc(/N=C\c2ccc3c(c2)OCO3)cc1	ZINC000017159502	304232482	/nfs/dbraw/zinc/23/24/82/304232482.db2.gz	OKGVQSBODARQNC-PXNMLYILSA-N	-1	0	269.256	2.864	40	30		CFEBRM
COC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)cc1	ZINC000226102281	382824880	/nfs/dbraw/zinc/82/48/80/382824880.db2.gz	QQFNOPFMPRPXBR-HNNXBMFYSA-N	-1	0	279.295	2.849	40	30		CFEBRM
C=CCOc1cc2oc(=O)c(C(=O)[O-])cc2cc1Cl	ZINC000072219773	256707756	/nfs/dbraw/zinc/70/77/56/256707756.db2.gz	ULOWKCPBWOPNEV-UHFFFAOYSA-N	-1	0	280.663	2.709	40	30		CFEBRM
COc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000005352761	170088783	/nfs/dbraw/zinc/08/87/83/170088783.db2.gz	MOAQJQGOTIKQOC-MHWRWJLKSA-N	-1	0	270.288	2.839	40	30		CFEBRM
CC(=O)Nc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000006304873	170189821	/nfs/dbraw/zinc/18/98/21/170189821.db2.gz	XLNUVHPNYSVVNC-LICLKQGHSA-N	-1	0	297.314	2.789	40	30		CFEBRM
C=CCc1c([O-])cc(OC)c2c1oc(C)c(OC)c2=O	ZINC000006556397	170212738	/nfs/dbraw/zinc/21/27/38/170212738.db2.gz	RXUGZUKQDZWJHX-UHFFFAOYSA-N	-1	0	276.288	2.553	40	30	biogenic,in-vitro	CFEBRM
COc1ccc(/C=N\[O-])cc1Oc1nc(Cl)ncc1F	ZINC000409006666	230411422	/nfs/dbraw/zinc/41/14/22/230411422.db2.gz	KAGBPALMQGTXSP-BNCCVWRVSA-N	-1	0	297.673	2.878	40	30		CFEBRM
C=CCOc1ccc(C=Nn2c(CC)n[n-]c2=S)cc1	ZINC000045925828	346416954	/nfs/dbraw/zinc/41/69/54/346416954.db2.gz	XELCUGKAZOFZHW-XNTDXEJSSA-N	-1	0	288.376	2.950	40	30		CFEBRM
O=C([O-])COc1ccc(/C=N/c2ccccc2)cc1	ZINC000166329656	348042670	/nfs/dbraw/zinc/04/26/70/348042670.db2.gz	NRPWJHNBLJQSKY-MHWRWJLKSA-N	-1	0	255.273	2.901	40	30		CFEBRM
O=C([O-])/C(=N/OCc1ccccc1)c1ccccc1	ZINC000001577697	371683282	/nfs/dbraw/zinc/68/32/82/371683282.db2.gz	GYJYAFJFRHNIBI-JQIJEIRASA-N	-1	0	255.273	2.692	40	30		CFEBRM
O=[N+]([O-])c1ccc([O-])c(/N=C\c2ccccc2O)c1	ZINC000017425257	372134405	/nfs/dbraw/zinc/13/44/05/372134405.db2.gz	BCOROSGFRRAIGD-ZSOIEALJSA-N	-1	0	258.233	2.757	40	30		CFEBRM
CN(C/C(=N/[O-])c1ccccc1)C(=O)c1ccccc1	ZINC000017130933	372128099	/nfs/dbraw/zinc/12/80/99/372128099.db2.gz	WDVLWDTZNXBCSZ-ICFOKQHNSA-N	-1	0	268.316	2.637	40	30		CFEBRM
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1/C2=N/[O-]	ZINC000102853912	375695838	/nfs/dbraw/zinc/69/58/38/375695838.db2.gz	LPHDYKCTQHQVKE-ICFOKQHNSA-N	-1	0	297.270	2.760	40	30		CFEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(O)cc2)cc1)C(=O)[O-]	ZINC000408859643	380950410	/nfs/dbraw/zinc/95/04/10/380950410.db2.gz	OLJSPQMSGNDUIU-MUOOZZNISA-N	-1	0	285.299	2.995	40	30		CFEBRM
COc1ccc(/N=C\c2cccc(OCC(=O)[O-])c2)cc1	ZINC000409214039	380955017	/nfs/dbraw/zinc/95/50/17/380955017.db2.gz	XCJBVGKOKOXRPD-YVLHZVERSA-N	-1	0	285.299	2.909	40	30		CFEBRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccccc2)n1	ZINC000008617541	170342886	/nfs/dbraw/zinc/34/28/86/170342886.db2.gz	PDBMAISMFGGOFJ-OTLSHVCWSA-N	-1	0	254.293	2.602	40	30		CFEBRM
N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)[n-]c1=O	ZINC000008653403	170343937	/nfs/dbraw/zinc/34/39/37/170343937.db2.gz	MCWZXFPSWAFDQC-UHFFFAOYSA-N	-1	0	277.283	2.756	40	30		CFEBRM
COC(=O)c1cc(C=Cc2ccccc2)[n-]c(=O)c1C#N	ZINC000008655368	170344181	/nfs/dbraw/zinc/34/41/81/170344181.db2.gz	HNCFHJPENZANAT-FPLPWBNLSA-N	-1	0	280.283	2.616	40	30		CFEBRM
CCc1cc(C)n(Cc2ccc(C(=O)[O-])o2)c1C#N	ZINC000078405279	177338472	/nfs/dbraw/zinc/33/84/72/177338472.db2.gz	OVBMGMGUNWHYCZ-UHFFFAOYSA-N	-1	0	258.277	2.570	40	30		CFEBRM
C=C(C(=O)[O-])[C@H]1CC2=C(C)CCC[C@@]2(C)C[C@@H]1O	ZINC000031165703	277762450	/nfs/dbraw/zinc/76/24/50/277762450.db2.gz	MMLPRYWSGSVRRN-ZLDLUXBVSA-N	-1	0	250.338	2.905	40	30	biogenic,in-vitro	CFEBRM
CC(C)(C)N(C(=O)[O-])c1cnc(F)cc1C(=O)CC#N	ZINC000299803604	328298491	/nfs/dbraw/zinc/29/84/91/328298491.db2.gz	FXPQJBNXXOTTIL-UHFFFAOYSA-N	-1	0	279.271	2.600	40	30		CFEBRM